(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide

C19H22N2O — CID 60569011

IUPAC(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
SMILESCN(CCNC(=O)/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-21(16-18-10-6-3-7-11-18)15-14-20-19(22)13-12-17-8-4-2-5-9-17/h2-13H,14-16H2,1H3,(H,20,22)/b13-12+
InChIKeyPGORBKLPTVDAQP-OUKQBFOZSA-N
MW294.40 g/mol
LogP2.95
Rot. Bonds7

About (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide

(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide (PubChem CID 60569011) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
PubChem CID60569011
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
SMILESCN(CCNC(=O)/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-21(16-18-10-6-3-7-11-18)15-14-20-19(22)13-12-17-8-4-2-5-9-17/h2-13H,14-16H2,1H3,(H,20,22)/b13-12+
InChIKeyPGORBKLPTVDAQP-OUKQBFOZSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.95
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-[benzyl(methyl)amino]but-2-ynyl]-3-phenylprop-2-enamide
CID 71960612
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46540605
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate
CID 2908391
3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
CID 108573771
N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide
CID 110300693
(E)-N-[4-[[benzyl(methyl)amino]methyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 134154267
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 46532496
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide (CID 60569011) is (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide is CN(CCNC(=O)/C=C/c1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide?
The InChIKey is PGORBKLPTVDAQP-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(16-18-10-6-3-7-11-18)15-14-20-19(22)13-12-17-8-4-2-5-9-17/h2-13H,14-16H2,1H3,(H,20,22)/b13-12+.
What are the key properties of (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 60569011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).