3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 63044500

IUPAC3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CC(C)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H26N2O2/c1-12(10-13-6-3-4-9-16(13)21-2)19-17(20)14-7-5-8-15(18)11-14/h3-4,6,9,12,14-15H,5,7-8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyMLLCDJSVFCXHSC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide

3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 63044500) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID63044500
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CC(C)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H26N2O2/c1-12(10-13-6-3-4-9-16(13)21-2)19-17(20)14-7-5-8-15(18)11-14/h3-4,6,9,12,14-15H,5,7-8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyMLLCDJSVFCXHSC-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119775947
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 60927015
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763933
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide
CID 119765075

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide (CID 63044500) is 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide is COc1ccccc1CC(C)NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is MLLCDJSVFCXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(10-13-6-3-4-9-16(13)21-2)19-17(20)14-7-5-8-15(18)11-14/h3-4,6,9,12,14-15H,5,7-8,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63044500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).