(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide

C17H17NO3 — CID 11977894

IUPAC(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
SMILESCOc1cc(CNC(=O)/C=C/c2ccccc2)ccc1O
InChIInChI=1S/C17H17NO3/c1-21-16-11-14(7-9-15(16)19)12-18-17(20)10-8-13-5-3-2-4-6-13/h2-11,19H,12H2,1H3,(H,18,20)/b10-8+
InChIKeyONVACOXORQBMCU-CSKARUKUSA-N
MW283.33 g/mol
LogP2.73
Rot. Bonds5

About (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide (PubChem CID 11977894) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
PubChem CID11977894
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
SMILESCOc1cc(CNC(=O)/C=C/c2ccccc2)ccc1O
InChIInChI=1S/C17H17NO3/c1-21-16-11-14(7-9-15(16)19)12-18-17(20)10-8-13-5-3-2-4-6-13/h2-11,19H,12H2,1H3,(H,18,20)/b10-8+
InChIKeyONVACOXORQBMCU-CSKARUKUSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
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 (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide (CID 11977894) is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide is COc1cc(CNC(=O)/C=C/c2ccccc2)ccc1O.
What is the InChIKey of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide?
The InChIKey is ONVACOXORQBMCU-CSKARUKUSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-16-11-14(7-9-15(16)19)12-18-17(20)10-8-13-5-3-2-4-6-13/h2-11,19H,12H2,1H3,(H,18,20)/b10-8+.
What are the key properties of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide?
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 11977894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).