(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide

C31H30N2O — CID 20870717

IUPAC(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide
SMILESO=C(NCc1ccccc1)C(/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O/c34-31(32-23-27-15-7-2-8-16-27)30(22-21-26-13-5-1-6-14-26)33(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-22,30H,23-25H2,(H,32,34)/b22-21+
InChIKeyMUKUJLZJFWHIRW-QURGRASLSA-N
MW446.59 g/mol
LogP6.09
Rot. Bonds10

About (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide

(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide (PubChem CID 20870717) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide
PubChem CID20870717
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide
SMILESO=C(NCc1ccccc1)C(/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O/c34-31(32-23-27-15-7-2-8-16-27)30(22-21-26-13-5-1-6-14-26)33(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-22,30H,23-25H2,(H,32,34)/b22-21+
InChIKeyMUKUJLZJFWHIRW-QURGRASLSA-N
XLogP6.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide
CID 71091237
N-benzyl-2-(dibenzylamino)-3-hydroxypropanamide;methane
CID 144540822
(E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide
CID 164898987
ethyl (E)-2-(dibenzylamino)-4-(4-methylphenyl)but-3-enoate
CID 135003986
(E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide
CID 164898997
(E)-2-(benzylamino)-4-phenylbut-3-enoic acid
CID 20656167
(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide
CID 138982111
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
N-benzyl-2-methylpropanamide;methane
CID 160760567
(E,2S,3R)-N-benzyl-2-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenylpent-4-enamide
CID 164898975
[(2R,3S)-2-(benzylamino)-3-(dibenzylamino)-4-phenylbutyl] (E)-3-phenylprop-2-enoate
CID 11455987
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide (CID 20870717) is (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide is O=C(NCc1ccccc1)C(/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide?
The InChIKey is MUKUJLZJFWHIRW-QURGRASLSA-N. The full InChI is InChI=1S/C31H30N2O/c34-31(32-23-27-15-7-2-8-16-27)30(22-21-26-13-5-1-6-14-26)33(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-22,30H,23-25H2,(H,32,34)/b22-21+.
What are the key properties of (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide?
(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide has a molecular weight of 446.59 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide is sourced from PubChem (CID 20870717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).