4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide

C19H19N3O3 — CID 9441769

IUPAC4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H19N3O3/c20-19(25)15-7-9-16(10-8-15)22-18(24)12-13-21-17(23)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,20,25)(H,21,23)(H,22,24)/b11-6+
InChIKeyMGNSFTFTFZZJOE-IZZDOVSWSA-N
MW337.38 g/mol
LogP1.94
Rot. Bonds7

About 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide

4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide (PubChem CID 9441769) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
PubChem CID9441769
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H19N3O3/c20-19(25)15-7-9-16(10-8-15)22-18(24)12-13-21-17(23)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,20,25)(H,21,23)(H,22,24)/b11-6+
InChIKeyMGNSFTFTFZZJOE-IZZDOVSWSA-N
XLogP1.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 8884640
N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9416088
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8939992
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
4-[[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzamide
CID 18901930
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 43007325
4-(3-phenylpropanoylamino)benzamide
CID 675903
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide
CID 7509862

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide (CID 9441769) is 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide?
The InChIKey is MGNSFTFTFZZJOE-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-19(25)15-7-9-16(10-8-15)22-18(24)12-13-21-17(23)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,20,25)(H,21,23)(H,22,24)/b11-6+.
What are the key properties of 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide?
4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide is sourced from PubChem (CID 9441769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).