N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide

C16H23NO4 — CID 112521544

IUPACN-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(OC)CC2)cc1OC
InChIInChI=1S/C16H23NO4/c1-19-13-7-4-11(5-8-13)16(18)17-12-6-9-14(20-2)15(10-12)21-3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyFRMKYKYTNHBXGU-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.85
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide (PubChem CID 112521544) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
PubChem CID112521544
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(OC)CC2)cc1OC
InChIInChI=1S/C16H23NO4/c1-19-13-7-4-11(5-8-13)16(18)17-12-6-9-14(20-2)15(10-12)21-3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyFRMKYKYTNHBXGU-UHFFFAOYSA-N
XLogP2.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 54781579
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
CID 115150743
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
CID 112526211
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide (CID 112521544) is N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(OC)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide?
The InChIKey is FRMKYKYTNHBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-13-7-4-11(5-8-13)16(18)17-12-6-9-14(20-2)15(10-12)21-3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 112521544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).