(Z)-N,N-dibenzyl-3-phenylprop-2-enamide

C23H21NO — CID 11163228

IUPAC(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21NO/c25-23(17-16-20-10-4-1-5-11-20)24(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-17H,18-19H2/b17-16-
InChIKeyPYKTZARZFNZUGD-MSUUIHNZSA-N
MW327.43 g/mol
LogP4.93
Rot. Bonds6

About (Z)-N,N-dibenzyl-3-phenylprop-2-enamide

(Z)-N,N-dibenzyl-3-phenylprop-2-enamide (PubChem CID 11163228) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (Z)-N,N-dibenzyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
PubChem CID11163228
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21NO/c25-23(17-16-20-10-4-1-5-11-20)24(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-17H,18-19H2/b17-16-
InChIKeyPYKTZARZFNZUGD-MSUUIHNZSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
(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-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296
N,N-dibenzylbut-2-enamide
CID 71340814
(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide
CID 42701074
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 60559458
[2-(dibenzylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860757
(E)-N-(benzenesulfonyl)-N-benzyl-3-phenylprop-2-enamide
CID 101014458
N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
(E)-N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide
CID 6077373
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dibenzyl-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N,N-dibenzyl-3-phenylprop-2-enamide (CID 11163228) is (Z)-N,N-dibenzyl-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N,N-dibenzyl-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N,N-dibenzyl-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (Z)-N,N-dibenzyl-3-phenylprop-2-enamide?
The InChIKey is PYKTZARZFNZUGD-MSUUIHNZSA-N. The full InChI is InChI=1S/C23H21NO/c25-23(17-16-20-10-4-1-5-11-20)24(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-17H,18-19H2/b17-16-.
What are the key properties of (Z)-N,N-dibenzyl-3-phenylprop-2-enamide?
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibenzyl-3-phenylprop-2-enamide is sourced from PubChem (CID 11163228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).