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

C20H21N3O4 — CID 8884640

IUPAC4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
SMILESCOc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H21N3O4/c1-27-17-9-2-14(3-10-17)4-11-18(24)22-13-12-19(25)23-16-7-5-15(6-8-16)20(21)26/h2-11H,12-13H2,1H3,(H2,21,26)(H,22,24)(H,23,25)/b11-4+
InChIKeyVPMWLZYWDGEVTF-NYYWCZLTSA-N
MW367.41 g/mol
LogP1.95
Rot. Bonds8

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

4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide (PubChem CID 8884640) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
PubChem CID8884640
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
SMILESCOc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H21N3O4/c1-27-17-9-2-14(3-10-17)4-11-18(24)22-13-12-19(25)23-16-7-5-15(6-8-16)20(21)26/h2-11H,12-13H2,1H3,(H2,21,26)(H,22,24)(H,23,25)/b11-4+
InChIKeyVPMWLZYWDGEVTF-NYYWCZLTSA-N
XLogP1.95
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
CID 9441769
N-(4-bromo-3-methylphenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 9095951
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide
CID 8713953
(2-amino-2-oxoethyl) 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7827963
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
N-(2,4-difluorophenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 9165074
methyl 4-[(E)-3-(4-carbamoylanilino)-3-oxoprop-1-enyl]benzoate
CID 8884646
N-(4-chloro-2-fluorophenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 9097418
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide (CID 8884640) is 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide is COc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide?
The InChIKey is VPMWLZYWDGEVTF-NYYWCZLTSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-17-9-2-14(3-10-17)4-11-18(24)22-13-12-19(25)23-16-7-5-15(6-8-16)20(21)26/h2-11H,12-13H2,1H3,(H2,21,26)(H,22,24)(H,23,25)/b11-4+.
What are the key properties of 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide?
4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide is sourced from PubChem (CID 8884640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).