3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide

C23H30N2O3 — CID 119765075

IUPAC3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CC(NC(=O)C2CCCC(N)C2)c2ccccc2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-27-21-12-11-16(14-22(21)28-2)13-20(17-7-4-3-5-8-17)25-23(26)18-9-6-10-19(24)15-18/h3-5,7-8,11-12,14,18-20H,6,9-10,13,15,24H2,1-2H3,(H,25,26)
InChIKeyGZAYWYDXTVNAMJ-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.62
Rot. Bonds7

About 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 119765075) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide
PubChem CID119765075
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CC(NC(=O)C2CCCC(N)C2)c2ccccc2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-27-21-12-11-16(14-22(21)28-2)13-20(17-7-4-3-5-8-17)25-23(26)18-9-6-10-19(24)15-18/h3-5,7-8,11-12,14,18-20H,6,9-10,13,15,24H2,1-2H3,(H,25,26)
InChIKeyGZAYWYDXTVNAMJ-UHFFFAOYSA-N
XLogP3.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide
CID 119312818
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride
CID 119312817
(2S,5R)-5-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120791253
3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754116
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide;hydrochloride
CID 119312825
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786390
4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide
CID 119312826
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide (CID 119765075) is 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide is COc1ccc(CC(NC(=O)C2CCCC(N)C2)c2ccccc2)cc1OC.
What is the InChIKey of 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is GZAYWYDXTVNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-27-21-12-11-16(14-22(21)28-2)13-20(17-7-4-3-5-8-17)25-23(26)18-9-6-10-19(24)15-18/h3-5,7-8,11-12,14,18-20H,6,9-10,13,15,24H2,1-2H3,(H,25,26).
What are the key properties of 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119765075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).