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

C22H23N3O3 — CID 55440201

IUPACN-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H23N3O3/c1-15(23-20(26)13-10-16-6-3-2-4-7-16)21(27)25-19-9-5-8-17(14-19)22(28)24-18-11-12-18/h2-10,13-15,18H,11-12H2,1H3,(H,23,26)(H,24,28)(H,25,27)/b13-10+
InChIKeyFYLVLVIKVFROGH-JLHYYAGUSA-N
MW377.44 g/mol
LogP2.74
Rot. Bonds7

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

N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide (PubChem CID 55440201) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
PubChem CID55440201
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H23N3O3/c1-15(23-20(26)13-10-16-6-3-2-4-7-16)21(27)25-19-9-5-8-17(14-19)22(28)24-18-11-12-18/h2-10,13-15,18H,11-12H2,1H3,(H,23,26)(H,24,28)(H,25,27)/b13-10+
InChIKeyFYLVLVIKVFROGH-JLHYYAGUSA-N
XLogP2.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.74
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

N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide
CID 110877650
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 55490185
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940575
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
methyl 4-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate
CID 9068812
(E)-3-[3-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid
CID 94231046
N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 9247195
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55691057
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide (CID 55440201) is N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide is CC(NC(=O)/C=C/c1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide?
The InChIKey is FYLVLVIKVFROGH-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(23-20(26)13-10-16-6-3-2-4-7-16)21(27)25-19-9-5-8-17(14-19)22(28)24-18-11-12-18/h2-10,13-15,18H,11-12H2,1H3,(H,23,26)(H,24,28)(H,25,27)/b13-10+.
What are the key properties of N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide?
N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide is sourced from PubChem (CID 55440201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).