(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide

C12H13NO3 — CID 70157750

IUPAC(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
SMILESCOCC(=O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H13NO3/c1-16-9-12(15)13-11(14)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)/b8-7+
InChIKeyOMAIVYVSCVUNHS-BQYQJAHWSA-N
MW219.24 g/mol
LogP0.99
Rot. Bonds4

About (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide

(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide (PubChem CID 70157750) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
PubChem CID70157750
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
SMILESCOCC(=O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H13NO3/c1-16-9-12(15)13-11(14)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)/b8-7+
InChIKeyOMAIVYVSCVUNHS-BQYQJAHWSA-N
XLogP0.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007
3-oxo-N-[(E)-3-phenylprop-2-enoyl]butanamide
CID 12682099
2-methoxy-N-(2-phenylethenyl)acetamide
CID 174718522
O-methyl N-(3-phenylprop-2-enoyl)carbamothioate
CID 2826352
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
methyl 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]acetate
CID 18823220
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide (CID 70157750) is (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide is COCC(=O)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide?
The InChIKey is OMAIVYVSCVUNHS-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-9-12(15)13-11(14)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)/b8-7+.
What are the key properties of (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide?
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide has a molecular weight of 219.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 70157750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).