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

C20H19N3O2 — CID 17234587

IUPAC4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H19N3O2/c24-19(16-8-9-16)22-18-12-10-17(11-13-18)20(25)23-21-14-4-7-15-5-2-1-3-6-15/h1-7,10-14,16H,8-9H2,(H,22,24)(H,23,25)/b7-4+,21-14+
InChIKeyOYGQEXFUUWORQA-ZRYFDENGSA-N
MW333.39 g/mol
LogP3.46
Rot. Bonds6

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

4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 17234587) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID17234587
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H19N3O2/c24-19(16-8-9-16)22-18-12-10-17(11-13-18)20(25)23-21-14-4-7-15-5-2-1-3-6-15/h1-7,10-14,16H,8-9H2,(H,22,24)(H,23,25)/b7-4+,21-14+
InChIKeyOYGQEXFUUWORQA-ZRYFDENGSA-N
XLogP3.46
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.46
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-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234588
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
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
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
1,3-bis(cinnamylideneamino)urea
CID 2823909
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5432749
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (CID 17234587) is 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is OYGQEXFUUWORQA-ZRYFDENGSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(16-8-9-16)22-18-12-10-17(11-13-18)20(25)23-21-14-4-7-15-5-2-1-3-6-15/h1-7,10-14,16H,8-9H2,(H,22,24)(H,23,25)/b7-4+,21-14+.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 17234587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).