2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide

C19H19NO2 — CID 71306931

IUPAC2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
SMILESCC(C)C(=O)N(C(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-15(2)19(22)20(17-11-7-4-8-12-17)18(21)14-13-16-9-5-3-6-10-16/h3-15H,1-2H3/b14-13+
InChIKeyAJTNDICLYDPJEV-BUHFOSPRSA-N
MW293.37 g/mol
LogP3.92
Rot. Bonds4

About 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide

2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide (PubChem CID 71306931) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
PubChem CID71306931
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
SMILESCC(C)C(=O)N(C(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-15(2)19(22)20(17-11-7-4-8-12-17)18(21)14-13-16-9-5-3-6-10-16/h3-15H,1-2H3/b14-13+
InChIKeyAJTNDICLYDPJEV-BUHFOSPRSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-fluoro-3-phenyl-N-propan-2-ylprop-2-enamide
CID 54163690
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
(E)-N-ethenyl-N,3-diphenylprop-2-enamide
CID 10377378
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974
(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide
CID 58901335
(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 61044170
(E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide
CID 102343014
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
iron;2-methanidylpropane;(E)-3-phenylprop-2-enoic acid
CID 87966578
(E)-2-oxo-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 11470935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide?
The IUPAC name of 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide (CID 71306931) is 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide.
What is the SMILES notation for 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide?
The canonical SMILES for 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide is CC(C)C(=O)N(C(=O)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide?
The InChIKey is AJTNDICLYDPJEV-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H19NO2/c1-15(2)19(22)20(17-11-7-4-8-12-17)18(21)14-13-16-9-5-3-6-10-16/h3-15H,1-2H3/b14-13+.
What are the key properties of 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide?
2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide is sourced from PubChem (CID 71306931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).