N-benzyl-3-(2-methoxyphenyl)prop-2-enamide

C17H17NO2 — CID 2927846

IUPACN-benzyl-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-16-10-6-5-9-15(16)11-12-17(19)18-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,18,19)
InChIKeyGKBYSIRNOVSAPW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.02
Rot. Bonds5

About N-benzyl-3-(2-methoxyphenyl)prop-2-enamide

N-benzyl-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 2927846) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-benzyl-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID2927846
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-benzyl-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-16-10-6-5-9-15(16)11-12-17(19)18-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,18,19)
InChIKeyGKBYSIRNOVSAPW-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.02
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-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
(E)-3-(2-methoxyphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933916
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
(E)-N-benzyl-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058036
2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387522
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
CID 3554271
(E)-3-(2-chloro-3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 45051346
2-cyano-N-[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924171
3-methoxy-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 103153296

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-benzyl-3-(2-methoxyphenyl)prop-2-enamide (CID 2927846) is N-benzyl-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-benzyl-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1C=CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is GKBYSIRNOVSAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-16-10-6-5-9-15(16)11-12-17(19)18-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,18,19).
What are the key properties of N-benzyl-3-(2-methoxyphenyl)prop-2-enamide?
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2927846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).