methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate

C89H186N10O20 — CID 160804708

About methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate

methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate (PubChem CID 160804708) has the molecular formula C89H186N10O20 and a molecular weight of 1716.52 g/mol. Its IUPAC name is methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate
• PubChem CID: 160804708
• Molecular Formula: C89H186N10O20
• Molecular Weight: 1716.52 g/mol
• Exact Mass: 1715.38
• IUPAC Name: methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.CC(C)NC(=O)OC(C)C.CC(C)OC(=O)NC(C)(C)C.CC(C)OC(=O)NC1CCCC1.CC(C)OC(=O)NC1CCCCC1.CC(C)OC(=O)Nc1ccccc1.CC(C)OC(=O)c1ccc[nH]1.CC(C)OC(=O)c1cccn1C.CC(C)OC(N)=O.CCCNC(=O)OC(C)C.CCNC(=O)OC(C)C
• InChI: InChI=1S/C10H19NO2.C10H13NO2.C9H13NO2.C9H17NO2.C8H11NO2.C8H17NO2.2C7H15NO2.C6H13NO2.C4H9NO2.11CH4/c2*1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-7(2)12-9(11)8-5-4-6-10(8)3;1-7(2)12-9(11)10-8-5-3-4-6-8;1-6(2)11-8(10)7-4-3-5-9-7;1-6(2)11-7(10)9-8(3,4)5;1-5(2)8-7(9)10-6(3)4;1-4-5-8-7(9)10-6(2)3;1-4-7-6(8)9-5(2)3;1-3(2)7-4(5)6;;;;;;;;;;;/h8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);4-7H,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11);3-6,9H,1-2H3;6H,1-5H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);3H,1-2H3,(H2,5,6);11*1H4
• InChIKey: SDNNZAFKNRWEKB-UHFFFAOYSA-N
• XLogP: 23.94
• TPSA: 393.95 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.52
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate?

The IUPAC name of methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate (CID 160804708) is methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate.

What is the SMILES notation for methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate?

The canonical SMILES for methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate is C.C.C.C.C.C.C.C.C.C.C.CC(C)NC(=O)OC(C)C.CC(C)OC(=O)NC(C)(C)C.CC(C)OC(=O)NC1CCCC1.CC(C)OC(=O)NC1CCCCC1.CC(C)OC(=O)Nc1ccccc1.CC(C)OC(=O)c1ccc[nH]1.CC(C)OC(=O)c1cccn1C.CC(C)OC(N)=O.CCCNC(=O)OC(C)C.CCNC(=O)OC(C)C.

What is the InChIKey of methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate?

The InChIKey is SDNNZAFKNRWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C10H13NO2.C9H13NO2.C9H17NO2.C8H11NO2.C8H17NO2.2C7H15NO2.C6H13NO2.C4H9NO2.11CH4/c2*1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-7(2)12-9(11)8-5-4-6-10(8)3;1-7(2)12-9(11)10-8-5-3-4-6-8;1-6(2)11-8(10)7-4-3-5-9-7;1-6(2)11-7(10)9-8(3,4)5;1-5(2)8-7(9)10-6(3)4;1-4-5-8-7(9)10-6(2)3;1-4-7-6(8)9-5(2)3;1-3(2)7-4(5)6;;;;;;;;;;;/h8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);4-7H,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11);3-6,9H,1-2H3;6H,1-5H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);3H,1-2H3,(H2,5,6);11*1H4.

What are the key properties of methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate?

methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate has a molecular weight of 1716.52 g/mol, XLogP of 23.94, 19 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for methane;propan-2-yl N-tert-butylcarbamate;propan-2-yl carbamate;propan-2-yl N-cyclohexylcarbamate;propan-2-yl N-cyclopentylcarbamate;propan-2-yl N-ethylcarbamate;propan-2-yl 1-methylpyrrole-2-carboxylate;propan-2-yl N-phenylcarbamate;propan-2-yl N-propan-2-ylcarbamate;propan-2-yl N-propylcarbamate;propan-2-yl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 160804708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).