2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide

C25H33N3O4 — CID 55577235

IUPAC2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(NC(=O)NCc2ccccc2)C(C)C)cc1OC1CCCC1
InChIInChI=1S/C25H33N3O4/c1-17(2)23(28-25(30)26-16-18-9-5-4-6-10-18)24(29)27-19-13-14-21(31-3)22(15-19)32-20-11-7-8-12-20/h4-6,9-10,13-15,17,20,23H,7-8,11-12,16H2,1-3H3,(H,27,29)(H2,26,28,30)
InChIKeyQXBHTVVYFRKSIM-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.48
Rot. Bonds9

About 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide

2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide (PubChem CID 55577235) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide
PubChem CID55577235
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(NC(=O)NCc2ccccc2)C(C)C)cc1OC1CCCC1
InChIInChI=1S/C25H33N3O4/c1-17(2)23(28-25(30)26-16-18-9-5-4-6-10-18)24(29)27-19-13-14-21(31-3)22(15-19)32-20-11-7-8-12-20/h4-6,9-10,13-15,17,20,23H,7-8,11-12,16H2,1-3H3,(H,27,29)(H2,26,28,30)
InChIKeyQXBHTVVYFRKSIM-UHFFFAOYSA-N
XLogP4.48
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 55543538
1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
CID 166237399
5-[[2-(benzylcarbamoylamino)-3-methylbutanoyl]amino]-2-chloro-N,N-dimethylbenzamide
CID 55930943
2-(benzylcarbamoylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylbutanamide
CID 86940023
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
CID 2002081
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
CID 31871009
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
2-(benzylcarbamoylamino)-N-[4-(cyanomethyl)phenyl]-3-methylbutanamide
CID 55544264
1-(benzylcarbamoylamino)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 33330452
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 110194127
1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46402015
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide (CID 55577235) is 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide is COc1ccc(NC(=O)C(NC(=O)NCc2ccccc2)C(C)C)cc1OC1CCCC1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide?
The InChIKey is QXBHTVVYFRKSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-17(2)23(28-25(30)26-16-18-9-5-4-6-10-18)24(29)27-19-13-14-21(31-3)22(15-19)32-20-11-7-8-12-20/h4-6,9-10,13-15,17,20,23H,7-8,11-12,16H2,1-3H3,(H,27,29)(H2,26,28,30).
What are the key properties of 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide?
2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide has a molecular weight of 439.56 g/mol, XLogP of 4.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 55577235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).