N,N-diethyl-3,3-diphenylprop-2-enamide

C19H21NO — CID 14066342

IUPACN,N-diethyl-3,3-diphenylprop-2-enamide
SMILESCCN(CC)C(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-20(4-2)19(21)15-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3
InChIKeyRJDGNIFENVBVFT-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.99
Rot. Bonds5

About N,N-diethyl-3,3-diphenylprop-2-enamide

N,N-diethyl-3,3-diphenylprop-2-enamide (PubChem CID 14066342) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N,N-diethyl-3,3-diphenylprop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-3,3-diphenylprop-2-enamide
PubChem CID14066342
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN,N-diethyl-3,3-diphenylprop-2-enamide
SMILESCCN(CC)C(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-20(4-2)19(21)15-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3
InChIKeyRJDGNIFENVBVFT-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.99
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

AI3-37157
CID 760213
N-Phenethyl-3-phenyl-acrylamide
CID 795855
Brn 2646116
CID 5281870
AI3-37156
CID 897567
Piperidine, N-acetyl-4-benzyl-
CID 299608
3-(4-Isobutylphenyl)-1-piperidino-2-propen-1-one
CID 6116364
Lansiumamide B
CID 11357517
(2E)-1-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 835862
N,N-Diethylcinnamamide
CID 817779
Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-
CID 223147
(E)-3-Phenyl-1-Piperidin-1-Ylprop-2-En-1-One
CID 764160
Acetamide, N,N-bis(phenylmethyl)-
CID 82657

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3-diphenylprop-2-enamide?
The IUPAC name of N,N-diethyl-3,3-diphenylprop-2-enamide (CID 14066342) is N,N-diethyl-3,3-diphenylprop-2-enamide.
What is the SMILES notation for N,N-diethyl-3,3-diphenylprop-2-enamide?
The canonical SMILES for N,N-diethyl-3,3-diphenylprop-2-enamide is CCN(CC)C(=O)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-3,3-diphenylprop-2-enamide?
The InChIKey is RJDGNIFENVBVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-20(4-2)19(21)15-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3,3-diphenylprop-2-enamide?
N,N-diethyl-3,3-diphenylprop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3-diphenylprop-2-enamide is sourced from PubChem (CID 14066342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).