N-(3,3-diphenylpropyl)-3-methylbut-2-enamide

C20H23NO — CID 30707802

IUPACN-(3,3-diphenylpropyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO/c1-16(2)15-20(22)21-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3,(H,21,22)
InChIKeyRQJVGLKCOMTDKD-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.29
Rot. Bonds6

About N-(3,3-diphenylpropyl)-3-methylbut-2-enamide

N-(3,3-diphenylpropyl)-3-methylbut-2-enamide (PubChem CID 30707802) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-methylbut-2-enamide
PubChem CID30707802
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-(3,3-diphenylpropyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO/c1-16(2)15-20(22)21-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3,(H,21,22)
InChIKeyRQJVGLKCOMTDKD-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide
CID 80506602
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
3,3-diphenylpropylurea;formic acid
CID 157477952
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
methyl 4-[3-(3,3-diphenylpropylamino)-3-oxoprop-1-enyl]benzoate
CID 3418889
N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide
CID 4162787
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
CID 171616627

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-methylbut-2-enamide (CID 30707802) is N-(3,3-diphenylpropyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-methylbut-2-enamide?
The InChIKey is RQJVGLKCOMTDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16(2)15-20(22)21-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-(3,3-diphenylpropyl)-3-methylbut-2-enamide?
N-(3,3-diphenylpropyl)-3-methylbut-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-methylbut-2-enamide is sourced from PubChem (CID 30707802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).