2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride

C18H29ClN2O — CID 119809026

IUPAC2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
SMILESCC(NC(=O)Cc1ccc(N)cc1)C(C)C1CCCCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(16-6-4-3-5-7-16)14(2)20-18(21)12-15-8-10-17(19)11-9-15;/h8-11,13-14,16H,3-7,12,19H2,1-2H3,(H,20,21);1H
InChIKeyJZKZYTLWFMNFLP-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119809026) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
PubChem CID119809026
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
SMILESCC(NC(=O)Cc1ccc(N)cc1)C(C)C1CCCCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(16-6-4-3-5-7-16)14(2)20-18(21)12-15-8-10-17(19)11-9-15;/h8-11,13-14,16H,3-7,12,19H2,1-2H3,(H,20,21);1H
InChIKeyJZKZYTLWFMNFLP-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.95
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

3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide
CID 119818622
2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801734
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
CID 119676478
3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
CID 104502552
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
CID 119741910
3-(4-aminophenyl)-N-[(1R)-1-cyclohexylethyl]butanamide
CID 104502868
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride (CID 119809026) is 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride is CC(NC(=O)Cc1ccc(N)cc1)C(C)C1CCCCC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is JZKZYTLWFMNFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13(16-6-4-3-5-7-16)14(2)20-18(21)12-15-8-10-17(19)11-9-15;/h8-11,13-14,16H,3-7,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.95, 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-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119809026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).