3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide

C28H29NO4 — CID 18406745

IUPAC3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
SMILESCOc1ccc(C2CCCCC2NC(=O)c2cccc(C(=O)c3ccccc3)c2)cc1OC
InChIInChI=1S/C28H29NO4/c1-32-25-16-15-20(18-26(25)33-2)23-13-6-7-14-24(23)29-28(31)22-12-8-11-21(17-22)27(30)19-9-4-3-5-10-19/h3-5,8-12,15-18,23-24H,6-7,13-14H2,1-2H3,(H,29,31)
InChIKeySQDOBUNREMZFPN-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.39
Rot. Bonds7

About 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide

3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide (PubChem CID 18406745) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
PubChem CID18406745
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
SMILESCOc1ccc(C2CCCCC2NC(=O)c2cccc(C(=O)c3ccccc3)c2)cc1OC
InChIInChI=1S/C28H29NO4/c1-32-25-16-15-20(18-26(25)33-2)23-13-6-7-14-24(23)29-28(31)22-12-8-11-21(17-22)27(30)19-9-4-3-5-10-19/h3-5,8-12,15-18,23-24H,6-7,13-14H2,1-2H3,(H,29,31)
InChIKeySQDOBUNREMZFPN-UHFFFAOYSA-N
XLogP5.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(4-nitrobenzoyl)benzamide
CID 18406743
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 70099471
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 18403991
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3,5-dinitrobenzamide
CID 87855420
methyl 2-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl]acetate
CID 54210068
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 18621298
ethyl 3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]amino]-3-oxopropanoate
CID 69492937
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide?
The IUPAC name of 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide (CID 18406745) is 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide?
The canonical SMILES for 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide is COc1ccc(C2CCCCC2NC(=O)c2cccc(C(=O)c3ccccc3)c2)cc1OC.
What is the InChIKey of 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide?
The InChIKey is SQDOBUNREMZFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c1-32-25-16-15-20(18-26(25)33-2)23-13-6-7-14-24(23)29-28(31)22-12-8-11-21(17-22)27(30)19-9-4-3-5-10-19/h3-5,8-12,15-18,23-24H,6-7,13-14H2,1-2H3,(H,29,31).
What are the key properties of 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide?
3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide has a molecular weight of 443.54 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide is sourced from PubChem (CID 18406745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).