4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C18H26N2O2 — CID 109144346

IUPAC4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C18H26N2O2/c1-3-11-19-17(21)14-7-9-15(10-8-14)18(22)20-16-6-4-5-13(2)12-16/h4-6,12,14-15H,3,7-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCNJFUMGUYGWAGA-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.27
Rot. Bonds5

About 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144346) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144346
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C18H26N2O2/c1-3-11-19-17(21)14-7-9-15(10-8-14)18(22)20-16-6-4-5-13(2)12-16/h4-6,12,14-15H,3,7-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCNJFUMGUYGWAGA-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144346) is 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is CNJFUMGUYGWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-11-19-17(21)14-7-9-15(10-8-14)18(22)20-16-6-4-5-13(2)12-16/h4-6,12,14-15H,3,7-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).