2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide

C18H20N2O — CID 68579167

IUPAC2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-15(2)18(21)19-13-14-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3,(H,19,21)
InChIKeyXEMPWDKERJKJHJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide

2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide (PubChem CID 68579167) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide
PubChem CID68579167
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-15(2)18(21)19-13-14-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3,(H,19,21)
InChIKeyXEMPWDKERJKJHJ-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.52
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

2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide
CID 87329807
2-methyl-N-[4-[N-(3-triethoxysilylpropyl)anilino]phenyl]prop-2-enamide;hydrobromide
CID 18920589
N-dodecyl-2-methylprop-2-enamide;styrene
CID 174861897
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
2-(2-methylprop-2-enoylamino)ethyl benzenecarbodithioate
CID 142475836
N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide
CID 91692817
benzyl-diethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium bromide
CID 155773845
2-[2-(2-methylprop-2-enoylamino)ethylcarbamoylamino]benzoic acid
CID 20608041
2-methyl-N-[4-[N-(3-triethoxysilylbutyl)anilino]phenyl]prop-2-enamide;hydrobromide
CID 18920593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide (CID 68579167) is 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide is C=C(C)C(=O)NCCN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide?
The InChIKey is XEMPWDKERJKJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-15(2)18(21)19-13-14-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3,(H,19,21).
What are the key properties of 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide?
2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide is sourced from PubChem (CID 68579167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).