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

C15H23ClN2O — CID 119782137

IUPAC2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
SMILESCCC1(CNC(=O)Cc2ccc(N)cc2)CCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-15(8-3-9-15)11-17-14(18)10-12-4-6-13(16)7-5-12;/h4-7H,2-3,8-11,16H2,1H3,(H,17,18);1H
InChIKeyVSKVHOXOQQKKJH-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.93
Rot. Bonds5

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

2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride (PubChem CID 119782137) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
PubChem CID119782137
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
SMILESCCC1(CNC(=O)Cc2ccc(N)cc2)CCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-15(8-3-9-15)11-17-14(18)10-12-4-6-13(16)7-5-12;/h4-7H,2-3,8-11,16H2,1H3,(H,17,18);1H
InChIKeyVSKVHOXOQQKKJH-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.93
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-ethylcyclopentyl)methyl]acetamide;hydrochloride
CID 119812218
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
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
1-(4-aminophenyl)-3-[(1-ethylcyclopropyl)methyl]urea
CID 114100683
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride (CID 119782137) is 2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride is CCC1(CNC(=O)Cc2ccc(N)cc2)CCC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride?
The InChIKey is VSKVHOXOQQKKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-15(8-3-9-15)11-17-14(18)10-12-4-6-13(16)7-5-12;/h4-7H,2-3,8-11,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.93, 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-ethylcyclobutyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119782137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).