N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide

C19H30N2O — CID 119609944

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
SMILESCCc1ccc(C(C)CC(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C19H30N2O/c1-3-15-8-10-16(11-9-15)14(2)12-19(22)21-18-7-5-4-6-17(18)13-20/h8-11,14,17-18H,3-7,12-13,20H2,1-2H3,(H,21,22)
InChIKeyQPCVGPHGSIJNEZ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide

N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide (PubChem CID 119609944) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
PubChem CID119609944
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
SMILESCCc1ccc(C(C)CC(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C19H30N2O/c1-3-15-8-10-16(11-9-15)14(2)12-19(22)21-18-7-5-4-6-17(18)13-20/h8-11,14,17-18H,3-7,12-13,20H2,1-2H3,(H,21,22)
InChIKeyQPCVGPHGSIJNEZ-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119603353
N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
CID 119475429
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 119602045
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
CID 119609890
3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221628
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119613872
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553755
N-[2-(aminomethyl)cyclopentyl]-3-phenylpentanamide;hydrochloride
CID 119604654

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide (CID 119609944) is N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide is CCc1ccc(C(C)CC(=O)NC2CCCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide?
The InChIKey is QPCVGPHGSIJNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-15-8-10-16(11-9-15)14(2)12-19(22)21-18-7-5-4-6-17(18)13-20/h8-11,14,17-18H,3-7,12-13,20H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide?
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide has a molecular weight of 302.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide is sourced from PubChem (CID 119609944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).