N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide

C18H28N2O2 — CID 119609890

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NC1CCCCC1CN
InChIInChI=1S/C18H28N2O2/c1-13(15-8-4-6-10-17(15)22-2)11-18(21)20-16-9-5-3-7-14(16)12-19/h4,6,8,10,13-14,16H,3,5,7,9,11-12,19H2,1-2H3,(H,20,21)
InChIKeyQWUFREMPOYEDLJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide (PubChem CID 119609890) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
PubChem CID119609890
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NC1CCCCC1CN
InChIInChI=1S/C18H28N2O2/c1-13(15-8-4-6-10-17(15)22-2)11-18(21)20-16-9-5-3-7-14(16)12-19/h4,6,8,10,13-14,16H,3,5,7,9,11-12,19H2,1-2H3,(H,20,21)
InChIKeyQWUFREMPOYEDLJ-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119603865
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553500
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide
CID 126422663
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide (CID 119609890) is N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide is COc1ccccc1C(C)CC(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide?
The InChIKey is QWUFREMPOYEDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(15-8-4-6-10-17(15)22-2)11-18(21)20-16-9-5-3-7-14(16)12-19/h4,6,8,10,13-14,16H,3,5,7,9,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide?
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide has a molecular weight of 304.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 119609890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).