N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide

C12H13NO2 — CID 131881565

IUPACN-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide
SMILESCC(=O)N(C=CC=O)c1ccc(C)cc1
InChIInChI=1S/C12H13NO2/c1-10-4-6-12(7-5-10)13(11(2)15)8-3-9-14/h3-9H,1-2H3
InChIKeyOFKSOIACXFCNBH-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds3

About N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide

N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide (PubChem CID 131881565) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide
PubChem CID131881565
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide
SMILESCC(=O)N(C=CC=O)c1ccc(C)cc1
InChIInChI=1S/C12H13NO2/c1-10-4-6-12(7-5-10)13(11(2)15)8-3-9-14/h3-9H,1-2H3
InChIKeyOFKSOIACXFCNBH-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(bromomethyl)phenyl]-N-[(1Z)-buta-1,3-dienyl]acetamide;ethane
CID 142020380
3-(N-benzyl-4-methylanilino)prop-2-enal
CID 71326352
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881144
(E)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enal
CID 58898607
ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881143
N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
CID 125464018
N-acetyl-4-methyl-N-(4-methylphenyl)benzamide
CID 163721412
(2E,4E)-5-(N-acetylanilino)-2-cyanopenta-2,4-dienoic acid
CID 89387177
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
N-(4-methylphenyl)-N-(2-phenylethenyl)benzamide
CID 174311463
N-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-N-(4-methylphenyl)acetamide
CID 4779367

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide?
The IUPAC name of N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide (CID 131881565) is N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide is CC(=O)N(C=CC=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide?
The InChIKey is OFKSOIACXFCNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10-4-6-12(7-5-10)13(11(2)15)8-3-9-14/h3-9H,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide?
N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide has a molecular weight of 203.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(3-oxoprop-1-enyl)acetamide is sourced from PubChem (CID 131881565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).