N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide

C17H16N2O2 — CID 101460565

IUPACN-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(/C=C/NC(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16(19-13-14-7-3-1-4-8-14)11-12-18-17(21)15-9-5-2-6-10-15/h1-12H,13H2,(H,18,21)(H,19,20)/b12-11+
InChIKeyUWRYWMAQHAQOKF-VAWYXSNFSA-N
MW280.33 g/mol
LogP2.25
Rot. Bonds5

About N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide

N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide (PubChem CID 101460565) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
PubChem CID101460565
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(/C=C/NC(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16(19-13-14-7-3-1-4-8-14)11-12-18-17(21)15-9-5-2-6-10-15/h1-12H,13H2,(H,18,21)(H,19,20)/b12-11+
InChIKeyUWRYWMAQHAQOKF-VAWYXSNFSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 102438932
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(E)-N-benzyl-4-oxopent-2-enamide
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N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
CID 102327969
(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide
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(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-(benzylcarbamothioyl)benzamide
CID 700976
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
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4-(benzamidomethyl)benzoic acid
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N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
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CID 682148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide (CID 101460565) is N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide is O=C(/C=C/NC(=O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is UWRYWMAQHAQOKF-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16(19-13-14-7-3-1-4-8-14)11-12-18-17(21)15-9-5-2-6-10-15/h1-12H,13H2,(H,18,21)(H,19,20)/b12-11+.
What are the key properties of N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide?
N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 101460565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).