1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide

C22H26N2O2 — CID 109052208

IUPAC1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NC2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-2-24(20-14-7-4-8-15-20)22(26)18-11-9-10-17(16-18)21(25)23-19-12-5-3-6-13-19/h4,7-11,14-16,19H,2-3,5-6,12-13H2,1H3,(H,23,25)
InChIKeyRMIHHHVOQQELNX-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.42
Rot. Bonds5

About 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide

1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 109052208) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID109052208
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NC2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-2-24(20-14-7-4-8-15-20)22(26)18-11-9-10-17(16-18)21(25)23-19-12-5-3-6-13-19/h4,7-11,14-16,19H,2-3,5-6,12-13H2,1H3,(H,23,25)
InChIKeyRMIHHHVOQQELNX-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107040
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
N-cyclohexyl-3-propoxybenzamide
CID 4960053
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229655
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide (CID 109052208) is 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)NC2CCCCC2)c1)c1ccccc1.
What is the InChIKey of 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is RMIHHHVOQQELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-24(20-14-7-4-8-15-20)22(26)18-11-9-10-17(16-18)21(25)23-19-12-5-3-6-13-19/h4,7-11,14-16,19H,2-3,5-6,12-13H2,1H3,(H,23,25).
What are the key properties of 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109052208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).