2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide

C12H14N2O3 — CID 135085947

IUPAC2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
SMILESC=C(NC(C)=O)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H14N2O3/c1-8(14-9(2)15)12(17)13-7-10-3-5-11(16)6-4-10/h3-6,16H,1,7H2,2H3,(H,13,17)(H,14,15)
InChIKeyMMUKSLITSMMAGW-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.66
Rot. Bonds4

About 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide

2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide (PubChem CID 135085947) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
PubChem CID135085947
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
SMILESC=C(NC(C)=O)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H14N2O3/c1-8(14-9(2)15)12(17)13-7-10-3-5-11(16)6-4-10/h3-6,16H,1,7H2,2H3,(H,13,17)(H,14,15)
InChIKeyMMUKSLITSMMAGW-UHFFFAOYSA-N
XLogP0.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide?
The IUPAC name of 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide (CID 135085947) is 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide is C=C(NC(C)=O)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide?
The InChIKey is MMUKSLITSMMAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(14-9(2)15)12(17)13-7-10-3-5-11(16)6-4-10/h3-6,16H,1,7H2,2H3,(H,13,17)(H,14,15).
What are the key properties of 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide?
2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide has a molecular weight of 234.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-hydroxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 135085947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).