4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

C23H28N2O4 — CID 109150438

IUPAC4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCC(C(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C23H28N2O4/c1-15-5-4-6-18(13-15)24-22(26)16-7-9-17(10-8-16)23(27)25-20-14-19(28-2)11-12-21(20)29-3/h4-6,11-14,16-17H,7-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVMQWZUFCMUOZCB-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.40
Rot. Bonds6

About 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150438) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150438
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCC(C(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C23H28N2O4/c1-15-5-4-6-18(13-15)24-22(26)16-7-9-17(10-8-16)23(27)25-20-14-19(28-2)11-12-21(20)29-3/h4-6,11-14,16-17H,7-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVMQWZUFCMUOZCB-UHFFFAOYSA-N
XLogP4.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151076
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
N-[3-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901255
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54814225
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1042371
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150438) is 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is COc1ccc(OC)c(NC(=O)C2CCC(C(=O)Nc3cccc(C)c3)CC2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is VMQWZUFCMUOZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15-5-4-6-18(13-15)24-22(26)16-7-9-17(10-8-16)23(27)25-20-14-19(28-2)11-12-21(20)29-3/h4-6,11-14,16-17H,7-10H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).