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

C24H30N2O3 — CID 69164482

IUPAC1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(Cc2cc(-c3ccc(C(C)=O)cc3)ccc2OC)(C(N)=O)CC1
InChIInChI=1S/C24H30N2O3/c1-16(27)17-4-6-18(7-5-17)19-8-9-22(29-3)20(14-19)15-24(23(25)28)12-10-21(26-2)11-13-24/h4-9,14,21,26H,10-13,15H2,1-3H3,(H2,25,28)
InChIKeyVWPQRNHDBINUKM-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.74
Rot. Bonds7

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

1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 69164482) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID69164482
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(Cc2cc(-c3ccc(C(C)=O)cc3)ccc2OC)(C(N)=O)CC1
InChIInChI=1S/C24H30N2O3/c1-16(27)17-4-6-18(7-5-17)19-8-9-22(29-3)20(14-19)15-24(23(25)28)12-10-21(26-2)11-13-24/h4-9,14,21,26H,10-13,15H2,1-3H3,(H2,25,28)
InChIKeyVWPQRNHDBINUKM-UHFFFAOYSA-N
XLogP3.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(4-acetylphenyl)-2-ethoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;hydrochloride
CID 69165341
1-[[2-methoxy-5-[4-[methyl(methylsulfonyl)amino]phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69166028
1-[[5-(2-amino-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide;dihydrochloride
CID 69164515
1-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69166712
1-[[2-methoxy-5-(2-methylsulfanylphenyl)phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165476
1-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165235
1-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-4-(diethylamino)cyclohexane-1-carboxamide
CID 69187688
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
1-[4-[4-fluoro-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 69166555
N-[1-[[5-[4-(dimethylsulfamoyl)phenyl]-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexyl]-2,2,2-trifluoroacetamide
CID 87719383
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 87719605

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide (CID 69164482) is 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide is CNC1CCC(Cc2cc(-c3ccc(C(C)=O)cc3)ccc2OC)(C(N)=O)CC1.
What is the InChIKey of 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is VWPQRNHDBINUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(27)17-4-6-18(7-5-17)19-8-9-22(29-3)20(14-19)15-24(23(25)28)12-10-21(26-2)11-13-24/h4-9,14,21,26H,10-13,15H2,1-3H3,(H2,25,28).
What are the key properties of 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide?
1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 69164482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).