2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide

C17H24N2O — CID 116675499

IUPAC2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide
SMILESCC(C(=O)NC(CC(C)C)c1ccccc1)=C1CNC1
InChIInChI=1S/C17H24N2O/c1-12(2)9-16(14-7-5-4-6-8-14)19-17(20)13(3)15-10-18-11-15/h4-8,12,16,18H,9-11H2,1-3H3,(H,19,20)
InChIKeyVWKGCIYNLMZTOW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.81
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide

2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide (PubChem CID 116675499) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide
PubChem CID116675499
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide
SMILESCC(C(=O)NC(CC(C)C)c1ccccc1)=C1CNC1
InChIInChI=1S/C17H24N2O/c1-12(2)9-16(14-7-5-4-6-8-14)19-17(20)13(3)15-10-18-11-15/h4-8,12,16,18H,9-11H2,1-3H3,(H,19,20)
InChIKeyVWKGCIYNLMZTOW-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide
CID 116675611
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
CID 107434402
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
1-(3-methyl-1-phenylbutyl)-3-propylurea
CID 133230839
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-(azetidin-3-ylidene)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 104892386
5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
CID 107908811

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide (CID 116675499) is 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide is CC(C(=O)NC(CC(C)C)c1ccccc1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide?
The InChIKey is VWKGCIYNLMZTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)9-16(14-7-5-4-6-8-14)19-17(20)13(3)15-10-18-11-15/h4-8,12,16,18H,9-11H2,1-3H3,(H,19,20).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3-methyl-1-phenylbutyl)propanamide is sourced from PubChem (CID 116675499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).