N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide

C164H265FN22O18 — CID 158981110

About N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide

N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide (PubChem CID 158981110) has the molecular formula C164H265FN22O18 and a molecular weight of 2852.06 g/mol. Its IUPAC name is N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 158981110
• Molecular Formula: C164H265FN22O18
• Molecular Weight: 2852.06 g/mol
• Exact Mass: 2850.05
• IUPAC Name: N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide
• SMILES: CC(=O)N(C)C(C)C.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.CCC(=O)NC(C)C.Cc1cc(C(C)C)on1.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccccc1CCC(=O)NC(C)C
• InChI: InChI=1S/C13H19NO.C12H15NO.C11H12FNO.C11H22N2O3.C11H13NO.2C11H17N.C10H20N2O3.C10H20N2O.C10H19NO.C10H15N.2C9H12N2O.C7H11NO.C7H15NO.2C6H13NO/c1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7(9)8-6(3)4;1-5(2)7(4)6(3)8;1-4-6(8)7-5(2)3/h4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,7H2,1-2H3;4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);3-7,9,11H,8H2,1-2H3;2*3-7H,1-2H3,(H,11,12);4-5H,1-3H3;5-6H,1-4H3,(H,8,9);5H,1-4H3;5H,4H2,1-3H3,(H,7,8)
• InChIKey: JOZZUAWILGCWET-UHFFFAOYSA-N
• XLogP: 29.12
• TPSA: 510.94 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2852.06
LogP ≤ 5	29.12
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide (CID 158981110) is N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide is CC(=O)N(C)C(C)C.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.CCC(=O)NC(C)C.Cc1cc(C(C)C)on1.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccccc1CCC(=O)NC(C)C.

What is the InChIKey of N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide?

The InChIKey is JOZZUAWILGCWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C12H15NO.C11H12FNO.C11H22N2O3.C11H13NO.2C11H17N.C10H20N2O3.C10H20N2O.C10H19NO.C10H15N.2C9H12N2O.C7H11NO.C7H15NO.2C6H13NO/c1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7(9)8-6(3)4;1-5(2)7(4)6(3)8;1-4-6(8)7-5(2)3/h4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,7H2,1-2H3;4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);3-7,9,11H,8H2,1-2H3;2*3-7H,1-2H3,(H,11,12);4-5H,1-3H3;5-6H,1-4H3,(H,8,9);5H,1-4H3;5H,4H2,1-3H3,(H,7,8).

What are the key properties of N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide?

N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 2852.06 g/mol, XLogP of 29.12, 37 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-(2-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 158981110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).