2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride

C18H29ClN2O — CID 119750326

IUPAC2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
SMILESCCCCC1CCC(NC(=O)Cc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-2-3-4-14-7-11-17(12-8-14)20-18(21)13-15-5-9-16(19)10-6-15;/h5-6,9-10,14,17H,2-4,7-8,11-13,19H2,1H3,(H,20,21);1H
InChIKeySUTDZXKDKCSAML-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride (PubChem CID 119750326) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
PubChem CID119750326
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
SMILESCCCCC1CCC(NC(=O)Cc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-2-3-4-14-7-11-17(12-8-14)20-18(21)13-15-5-9-16(19)10-6-15;/h5-6,9-10,14,17H,2-4,7-8,11-13,19H2,1H3,(H,20,21);1H
InChIKeySUTDZXKDKCSAML-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.10
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-cyclobutylacetamide
CID 62416481
2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
CID 12004061
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
ethyl 4-[[2-(4-aminophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 119738178
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
CID 119741910
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
CID 139316363
N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 12004095

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride (CID 119750326) is 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride is CCCCC1CCC(NC(=O)Cc2ccc(N)cc2)CC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride?
The InChIKey is SUTDZXKDKCSAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-2-3-4-14-7-11-17(12-8-14)20-18(21)13-15-5-9-16(19)10-6-15;/h5-6,9-10,14,17H,2-4,7-8,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119750326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).