2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide

C11H22N2O2 — CID 116678990

IUPAC2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)C(C)C1CNC1
InChIInChI=1S/C11H22N2O2/c1-3-13(5-4-6-14)11(15)9(2)10-7-12-8-10/h9-10,12,14H,3-8H2,1-2H3
InChIKeyAUNMBCSHTJTJGR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.07
Rot. Bonds6

About 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide

2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 116678990) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID116678990
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)C(C)C1CNC1
InChIInChI=1S/C11H22N2O2/c1-3-13(5-4-6-14)11(15)9(2)10-7-12-8-10/h9-10,12,14H,3-8H2,1-2H3
InChIKeyAUNMBCSHTJTJGR-UHFFFAOYSA-N
XLogP0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(2-ethoxyethyl)-N-ethylpropanamide
CID 116677912
2-(azetidin-3-yl)-N-ethyl-N-(2-phenylethyl)propanamide
CID 116676512
2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107479460
2-(azetidin-3-yl)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 116674963
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
2-(azetidin-3-yl)-N-butan-2-yl-N-ethylpropanamide
CID 116674787
2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide
CID 116674919
2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
CID 116676204
2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid
CID 116677692
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
CID 116678360
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
2-(azetidin-3-ylmethylsulfinyl)-N,N-diethylpropanamide
CID 81197021

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 116678990) is 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is AUNMBCSHTJTJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-13(5-4-6-14)11(15)9(2)10-7-12-8-10/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 116678990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).