4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide

C23H27N3O2 — CID 5121259

IUPAC4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C23H27N3O2/c1-16-8-9-20(17(2)14-16)15-24-26-23(28)19-10-12-21(13-11-19)25-22(27)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyUHKDABCOXVBYEQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.59
Rot. Bonds5

About 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide (PubChem CID 5121259) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide
PubChem CID5121259
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C23H27N3O2/c1-16-8-9-20(17(2)14-16)15-24-26-23(28)19-10-12-21(13-11-19)25-22(27)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyUHKDABCOXVBYEQ-UHFFFAOYSA-N
XLogP4.59
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4509773
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 1013453
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3495457
N-[(2,4-dimethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2593022

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide (CID 5121259) is 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide?
The InChIKey is UHKDABCOXVBYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-8-9-20(17(2)14-16)15-24-26-23(28)19-10-12-21(13-11-19)25-22(27)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5121259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).