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

C25H33NO6 — CID 18406774

IUPACN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
SMILESCOCCOc1cc(C(=O)NC2CCCCC2c2ccc(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C25H33NO6/c1-28-13-14-32-24-16-18(10-12-22(24)30-3)25(27)26-20-8-6-5-7-19(20)17-9-11-21(29-2)23(15-17)31-4/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3,(H,26,27)
InChIKeyRYUALQYTTNWKGE-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.19
Rot. Bonds10

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

N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide (PubChem CID 18406774) has the molecular formula C25H33NO6 and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
PubChem CID18406774
Molecular FormulaC25H33NO6
Molecular Weight443.54 g/mol
Exact Mass443.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
SMILESCOCCOc1cc(C(=O)NC2CCCCC2c2ccc(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C25H33NO6/c1-28-13-14-32-24-16-18(10-12-22(24)30-3)25(27)26-20-8-6-5-7-19(20)17-9-11-21(29-2)23(15-17)31-4/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3,(H,26,27)
InChIKeyRYUALQYTTNWKGE-UHFFFAOYSA-N
XLogP4.19
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
methyl 2-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl]acetate
CID 54210068
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 18403991
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 70099471
3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
CID 18406745
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
ethyl 3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]amino]-3-oxopropanoate
CID 69492937
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 18621298
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide (CID 18406774) is N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide is COCCOc1cc(C(=O)NC2CCCCC2c2ccc(OC)c(OC)c2)ccc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide?
The InChIKey is RYUALQYTTNWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO6/c1-28-13-14-32-24-16-18(10-12-22(24)30-3)25(27)26-20-8-6-5-7-19(20)17-9-11-21(29-2)23(15-17)31-4/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3,(H,26,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide?
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide has a molecular weight of 443.54 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 18406774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).