1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide

C23H27N3O2 — CID 69166712

IUPAC1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(Cc2cc(-c3cccc(C#N)c3)ccc2OC)(C(N)=O)CC1
InChIInChI=1S/C23H27N3O2/c1-26-20-8-10-23(11-9-20,22(25)27)14-19-13-18(6-7-21(19)28-2)17-5-3-4-16(12-17)15-24/h3-7,12-13,20,26H,8-11,14H2,1-2H3,(H2,25,27)
InChIKeyAAEQZIHZQCJKOF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.41
Rot. Bonds6

About 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide

1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 69166712) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID69166712
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(Cc2cc(-c3cccc(C#N)c3)ccc2OC)(C(N)=O)CC1
InChIInChI=1S/C23H27N3O2/c1-26-20-8-10-23(11-9-20,22(25)27)14-19-13-18(6-7-21(19)28-2)17-5-3-4-16(12-17)15-24/h3-7,12-13,20,26H,8-11,14H2,1-2H3,(H2,25,27)
InChIKeyAAEQZIHZQCJKOF-UHFFFAOYSA-N
XLogP3.41
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69164482
1-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-4-(diethylamino)cyclohexane-1-carboxamide
CID 69187688
1-[[2-methoxy-5-(2-methylsulfanylphenyl)phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165476
1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69166028
1-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165235
3-chloro-N-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 140524239
1-[3-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone;hydrochloride
CID 69166885
N-[[5-(3-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;hydrochloride
CID 69166880
N-[[2-methoxy-5-(3-methylsulfanylphenyl)phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;hydrochloride
CID 69165871
N-[1-[[5-[4-(dimethylsulfamoyl)phenyl]-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexyl]-2,2,2-trifluoroacetamide
CID 87719383
N-[[5-(4-cyanophenyl)-2-ethoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69166384
(3-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766167

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide (CID 69166712) is 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide is CNC1CCC(Cc2cc(-c3cccc(C#N)c3)ccc2OC)(C(N)=O)CC1.
What is the InChIKey of 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is AAEQZIHZQCJKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26-20-8-10-23(11-9-20,22(25)27)14-19-13-18(6-7-21(19)28-2)17-5-3-4-16(12-17)15-24/h3-7,12-13,20,26H,8-11,14H2,1-2H3,(H2,25,27).
What are the key properties of 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 69166712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).