4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide

C18H25ClN2O3 — CID 109146679

IUPAC4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H25ClN2O3/c1-24-11-3-10-20-17(22)13-6-8-14(9-7-13)18(23)21-16-5-2-4-15(19)12-16/h2,4-5,12-14H,3,6-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyMECQGDZDACGQEU-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.24
Rot. Bonds7

About 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide

4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146679) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146679
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H25ClN2O3/c1-24-11-3-10-20-17(22)13-6-8-14(9-7-13)18(23)21-16-5-2-4-15(19)12-16/h2,4-5,12-14H,3,6-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyMECQGDZDACGQEU-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700
N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 39887824
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
methyl 3-[[4-(butylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109145173
N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 72940470
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide (CID 109146679) is 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide is COCCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is MECQGDZDACGQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-24-11-3-10-20-17(22)13-6-8-14(9-7-13)18(23)21-16-5-2-4-15(19)12-16/h2,4-5,12-14H,3,6-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide?
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 352.86 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).