N-[(4-methoxyphenyl)methyl]prop-2-enamide

C11H13NO2 — CID 11344514

IUPACN-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C11H13NO2/c1-3-11(13)12-8-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyOZRCAHXQCJTFMS-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.50
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 11344514) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID11344514
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C11H13NO2/c1-3-11(13)12-8-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyOZRCAHXQCJTFMS-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]prop-2-enamide (CID 11344514) is N-[(4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]prop-2-enamide is C=CC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is OZRCAHXQCJTFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-11(13)12-8-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H,12,13).
What are the key properties of N-[(4-methoxyphenyl)methyl]prop-2-enamide?
N-[(4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 11344514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).