(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide

C20H22N2O2 — CID 17285888

IUPAC(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H22N2O2/c1-13-9-10-18(11-15(13)3)22-20(24)19(21-16(4)23)12-17-8-6-5-7-14(17)2/h5-12H,1-4H3,(H,21,23)(H,22,24)/b19-12-
InChIKeyKDLSKAOGBDMCJQ-UNOMPAQXSA-N
MW322.41 g/mol
LogP3.73
Rot. Bonds4

About (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide

(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 17285888) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID17285888
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H22N2O2/c1-13-9-10-18(11-15(13)3)22-20(24)19(21-16(4)23)12-17-8-6-5-7-14(17)2/h5-12H,1-4H3,(H,21,23)(H,22,24)/b19-12-
InChIKeyKDLSKAOGBDMCJQ-UNOMPAQXSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.73
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

(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 54777104
(Z)-2-acetamido-N-(4-anilinophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285895
2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929239
2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929290
2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929285
ethyl 4-[[2-acetamido-3-(2-methylphenyl)prop-2-enoyl]amino]benzoate
CID 4929280
(Z)-2-acetamido-N-(2,3-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 19629147
(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285905
(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285918
N-[(Z)-3-[3-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylanilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19313104
N-[4-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-2-methylphenyl]benzamide
CID 54781463
N-[(Z)-3-[3-[2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19313320

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide (CID 17285888) is (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide is CC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is KDLSKAOGBDMCJQ-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-9-10-18(11-15(13)3)22-20(24)19(21-16(4)23)12-17-8-6-5-7-14(17)2/h5-12H,1-4H3,(H,21,23)(H,22,24)/b19-12-.
What are the key properties of (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide?
(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 17285888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).