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

C23H25N3O4 — CID 55490185

IUPACN-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C23H25N3O4/c1-15(24-21(27)14-5-16-3-12-20(30-2)13-4-16)22(28)25-18-8-6-17(7-9-18)23(29)26-19-10-11-19/h3-9,12-15,19H,10-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/b14-5+
InChIKeyGFWLFLAPLQLFKM-LHHJGKSTSA-N
MW407.47 g/mol
LogP2.74
Rot. Bonds8

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

N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide (PubChem CID 55490185) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
PubChem CID55490185
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C23H25N3O4/c1-15(24-21(27)14-5-16-3-12-20(30-2)13-4-16)22(28)25-18-8-6-17(7-9-18)23(29)26-19-10-11-19/h3-9,12-15,19H,10-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/b14-5+
InChIKeyGFWLFLAPLQLFKM-LHHJGKSTSA-N
XLogP2.74
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.74
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

N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
N-cyclohexyl-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 28587889
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-pyridin-4-yloxyphenyl)propanamide
CID 49363843
N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
CID 55440201
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(1-propylpiperidin-4-yl)propanamide
CID 102603957
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
CID 75125584
N-[3-(cyclohexylamino)-3-oxopropyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55951186
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
CID 46568895
(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 35737555

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide (CID 55490185) is N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide is COc1ccc(/C=C/C(=O)NC(C)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide?
The InChIKey is GFWLFLAPLQLFKM-LHHJGKSTSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(24-21(27)14-5-16-3-12-20(30-2)13-4-16)22(28)25-18-8-6-17(7-9-18)23(29)26-19-10-11-19/h3-9,12-15,19H,10-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/b14-5+.
What are the key properties of N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide?
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide has a molecular weight of 407.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide is sourced from PubChem (CID 55490185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).