1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide

C24H30N2O3 — CID 109149171

IUPAC1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2CCC(C(=O)Nc3ccccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-17-5-3-4-6-22(17)26-24(28)20-11-9-19(10-12-20)23(27)25-16-15-18-7-13-21(29-2)14-8-18/h3-8,13-14,19-20H,9-12,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDZROFCRLOJRIFU-UHFFFAOYSA-N
MW394.51 g/mol
LogP4.11
Rot. Bonds7

About 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149171) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149171
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2CCC(C(=O)Nc3ccccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-17-5-3-4-6-22(17)26-24(28)20-11-9-19(10-12-20)23(27)25-16-15-18-7-13-21(29-2)14-8-18/h3-8,13-14,19-20H,9-12,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDZROFCRLOJRIFU-UHFFFAOYSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
(3S)-1-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767576
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677744
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 11036347
N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183174

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109149171) is 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide is COc1ccc(CCNC(=O)C2CCC(C(=O)Nc3ccccc3C)CC2)cc1.
What is the InChIKey of 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is DZROFCRLOJRIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-5-3-4-6-22(17)26-24(28)20-11-9-19(10-12-20)23(27)25-16-15-18-7-13-21(29-2)14-8-18/h3-8,13-14,19-20H,9-12,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 394.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).