N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide

C18H28N2O — CID 119475429

IUPACN-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
SMILESCCc1ccc(C(C)CC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-14-4-6-15(7-5-14)13(2)12-18(21)20-17-10-8-16(19)9-11-17/h4-7,13,16-17H,3,8-12,19H2,1-2H3,(H,20,21)
InChIKeyNDYZQBWAJPDKOC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide

N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide (PubChem CID 119475429) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
PubChem CID119475429
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
SMILESCCc1ccc(C(C)CC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-14-4-6-15(7-5-14)13(2)12-18(21)20-17-10-8-16(19)9-11-17/h4-7,13,16-17H,3,8-12,19H2,1-2H3,(H,20,21)
InChIKeyNDYZQBWAJPDKOC-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944
N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
CID 119475413
N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119613872
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553755
(2S)-2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119942975
2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119349149
3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide
CID 114549884
4-[3-[4-(trifluoromethyl)phenyl]butanoylamino]cyclohexane-1-carboxylic acid
CID 119230390
N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119495877
3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119478278

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide (CID 119475429) is N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide is CCc1ccc(C(C)CC(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide?
The InChIKey is NDYZQBWAJPDKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-14-4-6-15(7-5-14)13(2)12-18(21)20-17-10-8-16(19)9-11-17/h4-7,13,16-17H,3,8-12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide?
N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide is sourced from PubChem (CID 119475429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).