2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride

C16H25ClN2O — CID 119812218

IUPAC2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride
SMILESCCC1(CNC(=O)Cc2ccc(N)cc2)CCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-2-16(9-3-4-10-16)12-18-15(19)11-13-5-7-14(17)8-6-13;/h5-8H,2-4,9-12,17H2,1H3,(H,18,19);1H
InChIKeyFMHZEEIRZFHVLL-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride (PubChem CID 119812218) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride
PubChem CID119812218
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride
SMILESCCC1(CNC(=O)Cc2ccc(N)cc2)CCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-2-16(9-3-4-10-16)12-18-15(19)11-13-5-7-14(17)8-6-13;/h5-8H,2-4,9-12,17H2,1H3,(H,18,19);1H
InChIKeyFMHZEEIRZFHVLL-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
CID 119782137
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
2-(4-aminophenyl)-N-(1-methylcyclopentyl)acetamide;hydrochloride
CID 119736524
2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 114094154
1-(4-aminophenyl)-3-[(1-ethylcyclopropyl)methyl]urea
CID 114100683
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772654
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride (CID 119812218) is 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride is CCC1(CNC(=O)Cc2ccc(N)cc2)CCCC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride?
The InChIKey is FMHZEEIRZFHVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-2-16(9-3-4-10-16)12-18-15(19)11-13-5-7-14(17)8-6-13;/h5-8H,2-4,9-12,17H2,1H3,(H,18,19);1H.
What are the key properties of 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119812218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).