3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide

C17H17NO2 — CID 5036068

IUPAC3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H17NO2/c1-13-5-3-4-6-16(13)18-17(19)12-9-14-7-10-15(20-2)11-8-14/h3-12H,1-2H3,(H,18,19)
InChIKeyASVPUMNRQNWONV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide

3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide (PubChem CID 5036068) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
PubChem CID5036068
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H17NO2/c1-13-5-3-4-6-16(13)18-17(19)12-9-14-7-10-15(20-2)11-8-14/h3-12H,1-2H3,(H,18,19)
InChIKeyASVPUMNRQNWONV-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
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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Related Compounds

N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide
CID 8713953
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 30377596
(Z)-N-[(2,3-dimethylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92949934

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide (CID 5036068) is 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is ASVPUMNRQNWONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-5-3-4-6-16(13)18-17(19)12-9-14-7-10-15(20-2)11-8-14/h3-12H,1-2H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 5036068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).