2-(azetidin-3-yl)-N-heptan-2-ylpropanamide

C13H26N2O — CID 116674944

IUPAC2-(azetidin-3-yl)-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)C(C)C1CNC1
InChIInChI=1S/C13H26N2O/c1-4-5-6-7-10(2)15-13(16)11(3)12-8-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyKHWPHXNJFLBIRR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds7

About 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide

2-(azetidin-3-yl)-N-heptan-2-ylpropanamide (PubChem CID 116674944) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-heptan-2-ylpropanamide
PubChem CID116674944
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(azetidin-3-yl)-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)C(C)C1CNC1
InChIInChI=1S/C13H26N2O/c1-4-5-6-7-10(2)15-13(16)11(3)12-8-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyKHWPHXNJFLBIRR-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
CID 116676971
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide
CID 116678618
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
CID 116676839
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
2-(azetidin-3-yl)-N-(1-phenylpropan-2-yl)propanamide
CID 116677788
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
2-(azetidin-3-ylmethylsulfanyl)-N-heptan-2-ylacetamide
CID 66290727

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide (CID 116674944) is 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide is CCCCCC(C)NC(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide?
The InChIKey is KHWPHXNJFLBIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-6-7-10(2)15-13(16)11(3)12-8-14-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide?
2-(azetidin-3-yl)-N-heptan-2-ylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-heptan-2-ylpropanamide is sourced from PubChem (CID 116674944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).