1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C19H28N2O3 — CID 109144583

IUPAC1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-12(2)20-18(22)14-6-8-15(9-7-14)19(23)21-16-11-13(3)5-10-17(16)24-4/h5,10-12,14-15H,6-9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPNDRHFQWAIPSPY-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.27
Rot. Bonds5

About 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144583) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144583
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-12(2)20-18(22)14-6-8-15(9-7-14)19(23)21-16-11-13(3)5-10-17(16)24-4/h5,10-12,14-15H,6-9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPNDRHFQWAIPSPY-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
4-N-(2-methoxy-5-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148181
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
(1S,5R)-N-(2-methoxy-5-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9098264
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147450
1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151076
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148040

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144583) is 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is COc1ccc(C)cc1NC(=O)C1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is PNDRHFQWAIPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)20-18(22)14-6-8-15(9-7-14)19(23)21-16-11-13(3)5-10-17(16)24-4/h5,10-12,14-15H,6-9H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).