tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate

C34H42N4O5 — CID 18063511

About tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate

tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate (PubChem CID 18063511) has the molecular formula C34H42N4O5 and a molecular weight of 586.73 g/mol. Its IUPAC name is tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
• PubChem CID: 18063511
• Molecular Formula: C34H42N4O5
• Molecular Weight: 586.73 g/mol
• Exact Mass: 586.32
• IUPAC Name: tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
• SMILES: Cc1ccc(C)c(C(C(=O)Nc2ccc3ccccc3c2)N(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C2CCC2)c1
• InChI: InChI=1S/C34H42N4O5/c1-21-13-14-22(2)27(19-21)30(31(40)36-25-16-15-23-9-6-7-10-24(23)20-25)38(26-11-8-12-26)32(41)28(17-18-29(35)39)37-33(42)43-34(3,4)5/h6-7,9-10,13-16,19-20,26,28,30H,8,11-12,17-18H2,1-5H3,(H2,35,39)(H,36,40)(H,37,42)
• InChIKey: ALGSDDHBSXITNR-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 130.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.73
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate (CID 18063511) is tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate is Cc1ccc(C)c(C(C(=O)Nc2ccc3ccccc3c2)N(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C2CCC2)c1.

What is the InChIKey of tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate?

The InChIKey is ALGSDDHBSXITNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O5/c1-21-13-14-22(2)27(19-21)30(31(40)36-25-16-15-23-9-6-7-10-24(23)20-25)38(26-11-8-12-26)32(41)28(17-18-29(35)39)37-33(42)43-34(3,4)5/h6-7,9-10,13-16,19-20,26,28,30H,8,11-12,17-18H2,1-5H3,(H2,35,39)(H,36,40)(H,37,42).

What are the key properties of tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate?

tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate has a molecular weight of 586.73 g/mol, XLogP of 5.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-amino-1-[cyclobutyl-[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate is sourced from PubChem (CID 18063511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).