2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide

C12H24N2O — CID 116676839

IUPAC2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)C(C)C1CNC1
InChIInChI=1S/C12H24N2O/c1-9(2)5-4-6-14-12(15)10(3)11-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJWUGJAOPPPKPDS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds6

About 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide

2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide (PubChem CID 116676839) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
PubChem CID116676839
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)C(C)C1CNC1
InChIInChI=1S/C12H24N2O/c1-9(2)5-4-6-14-12(15)10(3)11-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJWUGJAOPPPKPDS-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
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-(5-methylhexyl)propanamide
CID 116678618
2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
CID 116678814
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
2-(azetidin-3-yl)-N-heptan-2-ylpropanamide
CID 116674944
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106428265
2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 116678382
2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
CID 116678902
2-(azetidin-3-yl)-N-(4-imidazol-1-ylbutyl)propanamide
CID 116677559
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide (CID 116676839) is 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide is CC(C)CCCNC(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide?
The InChIKey is JWUGJAOPPPKPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)5-4-6-14-12(15)10(3)11-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide?
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.39, 6 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-(4-methylpentyl)propanamide is sourced from PubChem (CID 116676839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).