2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide

C18H25ClN2O2 — CID 95570956

IUPAC2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
SMILESO=C(CNC1(c2ccc(Cl)cc2)CCCC1)NC[C@@H]1CCOC1
InChIInChI=1S/C18H25ClN2O2/c19-16-5-3-15(4-6-16)18(8-1-2-9-18)21-12-17(22)20-11-14-7-10-23-13-14/h3-6,14,21H,1-2,7-13H2,(H,20,22)/t14-/m0/s1
InChIKeyYUKLDHJVPPGXQG-AWEZNQCLSA-N
MW336.86 g/mol
LogP2.85
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide

2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide (PubChem CID 95570956) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
PubChem CID95570956
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
SMILESO=C(CNC1(c2ccc(Cl)cc2)CCCC1)NC[C@@H]1CCOC1
InChIInChI=1S/C18H25ClN2O2/c19-16-5-3-15(4-6-16)18(8-1-2-9-18)21-12-17(22)20-11-14-7-10-23-13-14/h3-6,14,21H,1-2,7-13H2,(H,20,22)/t14-/m0/s1
InChIKeyYUKLDHJVPPGXQG-AWEZNQCLSA-N
XLogP2.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide 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

1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95279939
2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide
CID 75468918
2-(cyclopentylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 60920124
2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61072039
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 6736627
1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309357
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 125442413
N-[1-(4-chlorophenyl)cyclohexyl]-2-(methylamino)acetamide
CID 119764374

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide (CID 95570956) is 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide is O=C(CNC1(c2ccc(Cl)cc2)CCCC1)NC[C@@H]1CCOC1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The InChIKey is YUKLDHJVPPGXQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-16-5-3-15(4-6-16)18(8-1-2-9-18)21-12-17(22)20-11-14-7-10-23-13-14/h3-6,14,21H,1-2,7-13H2,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide has a molecular weight of 336.86 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 95570956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).