N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide

C21H23NO2 — CID 102035558

IUPACN-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide
SMILESCCN(CC=C(c1ccccc1)c1ccccc1)C(=O)CC(C)=O
InChIInChI=1S/C21H23NO2/c1-3-22(21(24)16-17(2)23)15-14-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3
InChIKeyBLIADVMKBCFVIC-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.95
Rot. Bonds7

About N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide

N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide (PubChem CID 102035558) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide.

Molecular Properties

Compound NameN-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide
PubChem CID102035558
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide
SMILESCCN(CC=C(c1ccccc1)c1ccccc1)C(=O)CC(C)=O
InChIInChI=1S/C21H23NO2/c1-3-22(21(24)16-17(2)23)15-14-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3
InChIKeyBLIADVMKBCFVIC-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
CID 159685847
CID 159685847
2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid
CID 10499941
N-methyl-4,4-diphenylbut-3-enamide
CID 10824648
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide
CID 70041393
CID 174412487
CID 174412487
N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
erbium;1-phenylbutane-1,3-dione
CID 175058632
N-acetyl-3-oxo-N-phenylbutanamide
CID 88604895
N-ethyl-N-[2-(ethylamino)ethyl]benzamide
CID 12892915

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide?
The IUPAC name of N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide (CID 102035558) is N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide.
What is the SMILES notation for N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide?
The canonical SMILES for N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide is CCN(CC=C(c1ccccc1)c1ccccc1)C(=O)CC(C)=O.
What is the InChIKey of N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide?
The InChIKey is BLIADVMKBCFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-22(21(24)16-17(2)23)15-14-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3.
What are the key properties of N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide?
N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide has a molecular weight of 321.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylprop-2-enyl)-N-ethyl-3-oxobutanamide is sourced from PubChem (CID 102035558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).