N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C20H22N2O2 — CID 51161212

IUPACN-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C20H22N2O2/c1-14-9-11-18(15(2)13-14)22-20(24)16(3)21-19(23)12-10-17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,21,23)(H,22,24)/b12-10+
InChIKeyQWZZCWMZKCFKPW-ZRDIBKRKSA-N
MW322.41 g/mol
LogP3.46
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 51161212) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID51161212
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C20H22N2O2/c1-14-9-11-18(15(2)13-14)22-20(24)16(3)21-19(23)12-10-17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,21,23)(H,22,24)/b12-10+
InChIKeyQWZZCWMZKCFKPW-ZRDIBKRKSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 5101559
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51164289
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
(2R)-2-[3-(3-methylphenyl)prop-2-enoylamino]propanoic acid
CID 78972886
(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248607
(E)-N-[3-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 18902029
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 51161212) is N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is Cc1ccc(NC(=O)C(C)NC(=O)/C=C/c2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is QWZZCWMZKCFKPW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-9-11-18(15(2)13-14)22-20(24)16(3)21-19(23)12-10-17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,21,23)(H,22,24)/b12-10+.
What are the key properties of N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 51161212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).