(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane

About (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane

(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane (PubChem CID 143358322) has the molecular formula C38H61N5O5 and a molecular weight of 667.94 g/mol. Its IUPAC name is (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane.

Molecular Properties

Compound Name	(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane
PubChem CID	143358322
Molecular Formula	C38H61N5O5
Molecular Weight	667.94 g/mol
Exact Mass	667.47
IUPAC Name	(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane
SMILES	CCC.CC[C@@H]1CC(C(=O)NC(CC2CCC2)C(=O)C(N)=O)N(C(=O)C(NC(=O)NC2(Cc3ccccc3)CCCCC2)C(C)(C)C)C1
InChI	InChI=1S/C35H53N5O5.C3H8/c1-5-23-20-27(31(43)37-26(28(41)30(36)42)19-24-15-12-16-24)40(22-23)32(44)29(34(2,3)4)38-33(45)39-35(17-10-7-11-18-35)21-25-13-8-6-9-14-25;1-3-2/h6,8-9,13-14,23-24,26-27,29H,5,7,10-12,15-22H2,1-4H3,(H2,36,42)(H,37,43)(H2,38,39,45);3H2,1-2H3/t23-,26?,27?,29?;/m1./s1
InChIKey	GONZLUQGKAUBHB-FXHBGECZSA-N
XLogP	5.42
TPSA	150.70 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	12
Heavy Atoms	48
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.94
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane?

The IUPAC name of (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane (CID 143358322) is (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane.

What is the SMILES notation for (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane?

The canonical SMILES for (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane is CCC.CC[C@@H]1CC(C(=O)NC(CC2CCC2)C(=O)C(N)=O)N(C(=O)C(NC(=O)NC2(Cc3ccccc3)CCCCC2)C(C)(C)C)C1.

What is the InChIKey of (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane?

The InChIKey is GONZLUQGKAUBHB-FXHBGECZSA-N. The full InChI is InChI=1S/C35H53N5O5.C3H8/c1-5-23-20-27(31(43)37-26(28(41)30(36)42)19-24-15-12-16-24)40(22-23)32(44)29(34(2,3)4)38-33(45)39-35(17-10-7-11-18-35)21-25-13-8-6-9-14-25;1-3-2/h6,8-9,13-14,23-24,26-27,29H,5,7,10-12,15-22H2,1-4H3,(H2,36,42)(H,37,43)(H2,38,39,45);3H2,1-2H3/t23-,26?,27?,29?;/m1./s1.

What are the key properties of (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane?

(4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane has a molecular weight of 667.94 g/mol, XLogP of 5.42, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[2-[(1-benzylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-4-ethylpyrrolidine-2-carboxamide;propane is sourced from PubChem (CID 143358322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).