2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide

C14H26N2O — CID 102905823

IUPAC2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
SMILESCC(C(=O)NCC(C(C)C)C(C)C)=C1CNC1
InChIInChI=1S/C14H26N2O/c1-9(2)13(10(3)4)8-16-14(17)11(5)12-6-15-7-12/h9-10,13,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyCUCSNQQTPRMVDB-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.95
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide

2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide (PubChem CID 102905823) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
PubChem CID102905823
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
SMILESCC(C(=O)NCC(C(C)C)C(C)C)=C1CNC1
InChIInChI=1S/C14H26N2O/c1-9(2)13(10(3)4)8-16-14(17)11(5)12-6-15-7-12/h9-10,13,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyCUCSNQQTPRMVDB-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.95
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

2,3-dimethyl-N-(3-methylbutyl)but-2-enamide
CID 123784309
N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide
CID 102736257
2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide
CID 103461443
2-(Azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495439
2-(azetidin-3-ylidene)-N-[(1R)-1-cyclohexylethyl]propanamide
CID 104892372
2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 104892374
2-(azetidin-3-ylidene)-N-[(1R)-1-cyclopentylethyl]propanamide
CID 104892376
2-(azetidin-3-ylidene)-N-(4-methylcyclohexyl)propanamide
CID 104963381
2-(azetidin-3-ylidene)-N-[(1-cyclopropylcyclopropyl)methyl]propanamide
CID 105663493
2-(azetidin-3-ylidene)-N-(2,2,3-trimethylbutyl)propanamide
CID 105696001
2-(azetidin-3-ylidene)-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 105696355
2-(azetidin-3-ylidene)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 105696480

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide (CID 102905823) is 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide is CC(C(=O)NCC(C(C)C)C(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
The InChIKey is CUCSNQQTPRMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-9(2)13(10(3)4)8-16-14(17)11(5)12-6-15-7-12/h9-10,13,15H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-methyl-2-propan-2-ylbutyl)propanamide has a molecular weight of 238.37 g/mol, XLogP of 1.95, 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-2-propan-2-ylbutyl)propanamide is sourced from PubChem (CID 102905823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).