4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide

C20H29ClN2O4 — CID 109145385

IUPAC4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1cc(NC(=O)C2CCC(C(=O)NCC(C)C)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H29ClN2O4/c1-12(2)11-22-19(24)13-5-7-14(8-6-13)20(25)23-16-10-17(26-3)15(21)9-18(16)27-4/h9-10,12-14H,5-8,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUEOLMRNZUKOLJN-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.87
Rot. Bonds7

About 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide

4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145385) has the molecular formula C20H29ClN2O4 and a molecular weight of 396.92 g/mol. Its IUPAC name is 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145385
Molecular FormulaC20H29ClN2O4
Molecular Weight396.92 g/mol
Exact Mass396.18
IUPAC Name4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1cc(NC(=O)C2CCC(C(=O)NCC(C)C)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H29ClN2O4/c1-12(2)11-22-19(24)13-5-7-14(8-6-13)20(25)23-16-10-17(26-3)15(21)9-18(16)27-4/h9-10,12-14H,5-8,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUEOLMRNZUKOLJN-UHFFFAOYSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145381
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152391
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide (CID 109145385) is 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide is COc1cc(NC(=O)C2CCC(C(=O)NCC(C)C)CC2)c(OC)cc1Cl.
What is the InChIKey of 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is UEOLMRNZUKOLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O4/c1-12(2)11-22-19(24)13-5-7-14(8-6-13)20(25)23-16-10-17(26-3)15(21)9-18(16)27-4/h9-10,12-14H,5-8,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 396.92 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).