3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

C23H31ClN2O2 — CID 119802425

IUPAC3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1ccc(C(C)N(C)C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-16(25(2)23(26)19-7-6-8-20(24)15-19)17-11-13-18(14-12-17)21-9-4-5-10-22(21)27-3;/h4-5,9-14,16,19-20H,6-8,15,24H2,1-3H3;1H
InChIKeyOMKLNAXAQHNTQM-UHFFFAOYSA-N
MW402.97 g/mol
LogP4.82
Rot. Bonds5

About 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119802425) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119802425
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC Name3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1ccc(C(C)N(C)C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-16(25(2)23(26)19-7-6-8-20(24)15-19)17-11-13-18(14-12-17)21-9-4-5-10-22(21)27-3;/h4-5,9-14,16,19-20H,6-8,15,24H2,1-3H3;1H
InChIKeyOMKLNAXAQHNTQM-UHFFFAOYSA-N
XLogP4.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
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CID 119775947
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119818177
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119807872
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119802438
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119795534
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
CID 34737269
3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
CID 67184808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 119802425) is 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is COc1ccccc1-c1ccc(C(C)N(C)C(=O)C2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OMKLNAXAQHNTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.ClH/c1-16(25(2)23(26)19-7-6-8-20(24)15-19)17-11-13-18(14-12-17)21-9-4-5-10-22(21)27-3;/h4-5,9-14,16,19-20H,6-8,15,24H2,1-3H3;1H.
What are the key properties of 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119802425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).