3-(3-acetamidophenyl)prop-2-enamide

C11H12N2O2 — CID 169482180

IUPAC3-(3-acetamidophenyl)prop-2-enamide
SMILESCC(=O)Nc1cccc(C=CC(N)=O)c1
InChIInChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-3-9(7-10)5-6-11(12)15/h2-7H,1H3,(H2,12,15)(H,13,14)
InChIKeyTVXALUXMTUAGJM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.14
Rot. Bonds3

About 3-(3-acetamidophenyl)prop-2-enamide

3-(3-acetamidophenyl)prop-2-enamide (PubChem CID 169482180) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(3-acetamidophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-acetamidophenyl)prop-2-enamide
PubChem CID169482180
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(3-acetamidophenyl)prop-2-enamide
SMILESCC(=O)Nc1cccc(C=CC(N)=O)c1
InChIInChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-3-9(7-10)5-6-11(12)15/h2-7H,1H3,(H2,12,15)(H,13,14)
InChIKeyTVXALUXMTUAGJM-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.14
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

N-[3-(2-cyanoethenyl)phenyl]acetamide
CID 169483845
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
(Z)-3-(3-ethenylphenyl)prop-2-enamide
CID 55267303
(Z)-3-(3-iodophenyl)prop-2-enamide
CID 131504945
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
3-(3-methylsulfanylphenyl)prop-2-enamide
CID 169481437
(E)-3-[3-(methylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340518
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
(E)-3-[3-(acetylcarbamothioylamino)phenyl]prop-2-enoic acid
CID 91682939
N-(3-methylphenyl)acetamide
CID 10843
N-[3-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]acetamide
CID 14763363

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidophenyl)prop-2-enamide?
The IUPAC name of 3-(3-acetamidophenyl)prop-2-enamide (CID 169482180) is 3-(3-acetamidophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-acetamidophenyl)prop-2-enamide?
The canonical SMILES for 3-(3-acetamidophenyl)prop-2-enamide is CC(=O)Nc1cccc(C=CC(N)=O)c1.
What is the InChIKey of 3-(3-acetamidophenyl)prop-2-enamide?
The InChIKey is TVXALUXMTUAGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-3-9(7-10)5-6-11(12)15/h2-7H,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-(3-acetamidophenyl)prop-2-enamide?
3-(3-acetamidophenyl)prop-2-enamide has a molecular weight of 204.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidophenyl)prop-2-enamide is sourced from PubChem (CID 169482180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).