1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide

C23H28N2O3 — CID 109150541

IUPAC1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-28-21-15-13-19(14-16-21)24-22(26)17-9-11-18(12-10-17)23(27)25(2)20-7-5-4-6-8-20/h4-8,13-18H,3,9-12H2,1-2H3,(H,24,26)
InChIKeyLSEBJXJONGITEP-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.49
Rot. Bonds6

About 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide

1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109150541) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109150541
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-28-21-15-13-19(14-16-21)24-22(26)17-9-11-18(12-10-17)23(27)25(2)20-7-5-4-6-8-20/h4-8,13-18H,3,9-12H2,1-2H3,(H,24,26)
InChIKeyLSEBJXJONGITEP-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150526
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
1-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109147324
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149768
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23098886
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide (CID 109150541) is 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide is CCOc1ccc(NC(=O)C2CCC(C(=O)N(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is LSEBJXJONGITEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-28-21-15-13-19(14-16-21)24-22(26)17-9-11-18(12-10-17)23(27)25(2)20-7-5-4-6-8-20/h4-8,13-18H,3,9-12H2,1-2H3,(H,24,26).
What are the key properties of 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).