2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide

C12H22N2O2 — CID 106161259

IUPAC2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(C(=O)NCCCC(C)CO)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(8-15)4-3-5-14-12(16)10(2)11-6-13-7-11/h9,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyBQGKOXVNBNSESX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.43
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide

2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide (PubChem CID 106161259) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide
PubChem CID106161259
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(C(=O)NCCCC(C)CO)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(8-15)4-3-5-14-12(16)10(2)11-6-13-7-11/h9,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyBQGKOXVNBNSESX-UHFFFAOYSA-N
XLogP0.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-2-methylprop-2-enamide
CID 174385019
N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
CID 103861923
2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103951062
N-(5-hydroxy-4-methylpentyl)azetidine-3-carboxamide
CID 104437948
2-(azetidin-3-ylidene)-N-(5-methoxypentyl)propanamide
CID 105936694
2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106116770
2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134055
2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide
CID 106134571
2-(azetidin-3-ylidene)-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106135556
2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106148177
2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161202
2-(azetidin-3-ylidene)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 106286517

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide (CID 106161259) is 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide is CC(C(=O)NCCCC(C)CO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide?
The InChIKey is BQGKOXVNBNSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(8-15)4-3-5-14-12(16)10(2)11-6-13-7-11/h9,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide?
2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(5-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 106161259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).