3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide

C26H33NO5 — CID 23117228

IUPAC3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C2CCCCC2NC(=O)c2ccc(OC)c(OC3CCC3)c2)cc1OC
InChIInChI=1S/C26H33NO5/c1-29-22-13-11-17(15-24(22)31-3)20-9-4-5-10-21(20)27-26(28)18-12-14-23(30-2)25(16-18)32-19-7-6-8-19/h11-16,19-21H,4-10H2,1-3H3,(H,27,28)
InChIKeyZAFUTNDLXUQHJT-UHFFFAOYSA-N
MW439.55 g/mol
LogP5.10
Rot. Bonds8

About 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide

3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide (PubChem CID 23117228) has the molecular formula C26H33NO5 and a molecular weight of 439.55 g/mol. Its IUPAC name is 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
PubChem CID23117228
Molecular FormulaC26H33NO5
Molecular Weight439.55 g/mol
Exact Mass439.24
IUPAC Name3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C2CCCCC2NC(=O)c2ccc(OC)c(OC3CCC3)c2)cc1OC
InChIInChI=1S/C26H33NO5/c1-29-22-13-11-17(15-24(22)31-3)20-9-4-5-10-21(20)27-26(28)18-12-14-23(30-2)25(16-18)32-19-7-6-8-19/h11-16,19-21H,4-10H2,1-3H3,(H,27,28)
InChIKeyZAFUTNDLXUQHJT-UHFFFAOYSA-N
XLogP5.10
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
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
3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
CID 18406745
methyl 2-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl]acetate
CID 54210068
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3,5-dinitrobenzamide
CID 87855420
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(4-nitrobenzoyl)benzamide
CID 18406743
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 18621298
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide?
The IUPAC name of 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide (CID 23117228) is 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide?
The canonical SMILES for 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide is COc1ccc(C2CCCCC2NC(=O)c2ccc(OC)c(OC3CCC3)c2)cc1OC.
What is the InChIKey of 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide?
The InChIKey is ZAFUTNDLXUQHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO5/c1-29-22-13-11-17(15-24(22)31-3)20-9-4-5-10-21(20)27-26(28)18-12-14-23(30-2)25(16-18)32-19-7-6-8-19/h11-16,19-21H,4-10H2,1-3H3,(H,27,28).
What are the key properties of 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide?
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide has a molecular weight of 439.55 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 23117228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).