N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide

C25H23N3O3 — CID 54781463

IUPACN-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C25H23N3O3/c1-17-15-21(13-14-22(17)28-24(30)20-11-7-4-8-12-20)27-25(31)23(26-18(2)29)16-19-9-5-3-6-10-19/h3-16H,1-2H3,(H,26,29)(H,27,31)(H,28,30)/b23-16-
InChIKeyGZPBJOZVHMUCOX-KQWNVCNZSA-N
MW413.48 g/mol
LogP4.36
Rot. Bonds6

About N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide

N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide (PubChem CID 54781463) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide
PubChem CID54781463
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C25H23N3O3/c1-17-15-21(13-14-22(17)28-24(30)20-11-7-4-8-12-20)27-25(31)23(26-18(2)29)16-19-9-5-3-6-10-19/h3-16H,1-2H3,(H,26,29)(H,27,31)(H,28,30)/b23-16-
InChIKeyGZPBJOZVHMUCOX-KQWNVCNZSA-N
XLogP4.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.36
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

2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
(Z)-2-acetamido-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide
CID 6537620
(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285888
2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide
CID 4947913
4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583
N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
CID 3311772
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 54777104
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
(Z)-2-acetamido-N-(9H-fluoren-3-yl)-3-phenylprop-2-enamide
CID 9378259
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide (CID 54781463) is N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide is CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide?
The InChIKey is GZPBJOZVHMUCOX-KQWNVCNZSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-15-21(13-14-22(17)28-24(30)20-11-7-4-8-12-20)27-25(31)23(26-18(2)29)16-19-9-5-3-6-10-19/h3-16H,1-2H3,(H,26,29)(H,27,31)(H,28,30)/b23-16-.
What are the key properties of N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide?
N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 54781463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).