4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

C23H25N3O2 — CID 17234588

IUPAC4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H25N3O2/c27-22(19-11-5-2-6-12-19)25-21-15-13-20(14-16-21)23(28)26-24-17-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,13-17,19H,2,5-6,11-12H2,(H,25,27)(H,26,28)/b10-7+,24-17+
InChIKeyUEUVQNADBROGAE-VQSRTKSSSA-N
MW375.47 g/mol
LogP4.63
Rot. Bonds6

About 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 17234588) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID17234588
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H25N3O2/c27-22(19-11-5-2-6-12-19)25-21-15-13-20(14-16-21)23(28)26-24-17-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,13-17,19H,2,5-6,11-12H2,(H,25,27)(H,26,28)/b10-7+,24-17+
InChIKeyUEUVQNADBROGAE-VQSRTKSSSA-N
XLogP4.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.63
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-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234587
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764
4-(3-methylbutanoylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234592
4-nitro-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]benzamide
CID 92529886
4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4509998
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (CID 17234588) is 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is UEUVQNADBROGAE-VQSRTKSSSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(19-11-5-2-6-12-19)25-21-15-13-20(14-16-21)23(28)26-24-17-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,13-17,19H,2,5-6,11-12H2,(H,25,27)(H,26,28)/b10-7+,24-17+.
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 17234588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).