N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide

C19H27N3O3 — CID 47057603

IUPACN-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-2-5-17(23)22-16-10-8-14(9-11-16)12-20-18(24)13-21-19(25)15-6-3-4-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDKYGVUNIDXKGGW-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.35
Rot. Bonds8

About N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 47057603) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID47057603
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-2-5-17(23)22-16-10-8-14(9-11-16)12-20-18(24)13-21-19(25)15-6-3-4-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDKYGVUNIDXKGGW-UHFFFAOYSA-N
XLogP2.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide 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

N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609
N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620669
4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]benzoic acid
CID 45423811
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711
N-[[4-(butanoylamino)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 55781450
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide (CID 47057603) is N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide is CCCC(=O)Nc1ccc(CNC(=O)CNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is DKYGVUNIDXKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-5-17(23)22-16-10-8-14(9-11-16)12-20-18(24)13-21-19(25)15-6-3-4-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 47057603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).