(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide

C19H19NO2 — CID 11077226

IUPAC(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
SMILESO=CCCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H19NO2/c21-15-7-14-20(16-18-10-5-2-6-11-18)19(22)13-12-17-8-3-1-4-9-17/h1-6,8-13,15H,7,14,16H2/b13-12+
InChIKeyQSEHCDHAHJQXAB-OUKQBFOZSA-N
MW293.37 g/mol
LogP3.32
Rot. Bonds7

About (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide

(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide (PubChem CID 11077226) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
PubChem CID11077226
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
SMILESO=CCCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H19NO2/c21-15-7-14-20(16-18-10-5-2-6-11-18)19(22)13-12-17-8-3-1-4-9-17/h1-6,8-13,15H,7,14,16H2/b13-12+
InChIKeyQSEHCDHAHJQXAB-OUKQBFOZSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 60559458
(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296
N-benzyl-N-but-3-enylbut-2-enamide
CID 72969780
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide
CID 46554937
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
4-[benzyl(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 6735055
3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide
CID 28642606
N,N-dibenzylbut-2-enamide
CID 71340814

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide (CID 11077226) is (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide is O=CCCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide?
The InChIKey is QSEHCDHAHJQXAB-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H19NO2/c21-15-7-14-20(16-18-10-5-2-6-11-18)19(22)13-12-17-8-3-1-4-9-17/h1-6,8-13,15H,7,14,16H2/b13-12+.
What are the key properties of (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide?
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 11077226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).