tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide

C194H312N22O19 — CID 160548222

About tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide

tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide (PubChem CID 160548222) has the molecular formula C194H312N22O19 and a molecular weight of 3256.76 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide
• PubChem CID: 160548222
• Molecular Formula: C194H312N22O19
• Molecular Weight: 3256.76 g/mol
• Exact Mass: 3254.41
• IUPAC Name: tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide
• SMILES: C.C.C.C.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)CC(=O)NC(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccccc1.CC1=CC(=O)N(C(C)C)C1.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.Cc1cc(C(C)C)on1.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(CCC(=O)NC(C)C)cc1.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C
• InChI: InChI=1S/C15H21NO.C13H16N2.3C13H19NO.C12H15N3.C12H23NO.C12H17NO.C11H22N2O3.C11H15NO.C11H21NO.C11H15NO.C10H20N2O3.C10H13NO.C8H13NO.C8H17NO.C7H11NO.4CH4/c1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;1-12(2,3)15-9-11(8-14-15)10-5-4-6-13-7-10;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-11(13)10-6-4-9(3)5-7-10;2*1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(12)9-6-4-3-5-7-9;1-6(2)9-5-7(3)4-8(9)10;1-6(2)5-8(10)9-7(3)4;1-5(2)7-4-6(3)8-9-7;;;;/h7-9,11H,4-6,10H2,1-3H3;4-10H,1-3H3;4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);4-9H,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);7-8H,1-6H3,(H,12,14)(H,13,15);4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);7H,6H2,1-5H3,(H,11,14)(H,12,13);3-8H,1-2H3,(H,11,12);4,6H,5H2,1-3H3;6-7H,5H2,1-4H3,(H,9,10);4-5H,1-3H3;4*1H4
• InChIKey: QXSCSTRLKNECBL-UHFFFAOYSA-N
• XLogP: 39.81
• TPSA: 541.04 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 25
• Rotatable Bonds: 47
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3256.76
LogP ≤ 5	39.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide?

The IUPAC name of tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide (CID 160548222) is tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide.

What is the SMILES notation for tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide?

The canonical SMILES for tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide is C.C.C.C.CC(C)(C)n1cc(-c2ccccc2)cn1.CC(C)(C)n1cc(-c2cccnc2)cn1.CC(C)CC(=O)NC(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1ccccc1.CC1=CC(=O)N(C(C)C)C1.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.Cc1cc(C(C)C)on1.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(CCC(=O)NC(C)C)cc1.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C.

What is the InChIKey of tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide?

The InChIKey is QXSCSTRLKNECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C13H16N2.3C13H19NO.C12H15N3.C12H23NO.C12H17NO.C11H22N2O3.C11H15NO.C11H21NO.C11H15NO.C10H20N2O3.C10H13NO.C8H13NO.C8H17NO.C7H11NO.4CH4/c1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;1-13(2,3)15-10-12(9-14-15)11-7-5-4-6-8-11;1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;1-12(2,3)15-9-11(8-14-15)10-5-4-6-13-7-10;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-11(13)10-6-4-9(3)5-7-10;2*1-9(2)12-11(13)8-10-6-4-3-5-7-10;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(12)9-6-4-3-5-7-9;1-6(2)9-5-7(3)4-8(9)10;1-6(2)5-8(10)9-7(3)4;1-5(2)7-4-6(3)8-9-7;;;;/h7-9,11H,4-6,10H2,1-3H3;4-10H,1-3H3;4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);4-9H,1-3H3;10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);7-8H,1-6H3,(H,12,14)(H,13,15);4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);7H,6H2,1-5H3,(H,11,14)(H,12,13);3-8H,1-2H3,(H,11,12);4,6H,5H2,1-3H3;6-7H,5H2,1-4H3,(H,9,10);4-5H,1-3H3;4*1H4.

What are the key properties of tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide?

tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide has a molecular weight of 3256.76 g/mol, XLogP of 39.81, 47 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;1-tert-butyl-4-phenylpyrazole;5-butyl-2-propan-2-yl-3H-isoindol-1-one;3-(1-tert-butylpyrazol-4-yl)pyridine;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-yl-2H-pyrrol-5-one;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylbenzamide is sourced from PubChem (CID 160548222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).