2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide

C12H22N2O2 — CID 116678448

IUPAC2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
SMILESCC(C(=O)NCC1(C)CCCO1)C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(10-6-13-7-10)11(15)14-8-12(2)4-3-5-16-12/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCODMDPZFYFWRQX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide

2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide (PubChem CID 116678448) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
PubChem CID116678448
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
SMILESCC(C(=O)NCC1(C)CCCO1)C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(10-6-13-7-10)11(15)14-8-12(2)4-3-5-16-12/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCODMDPZFYFWRQX-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119782234
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119782244
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134846
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045958
(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119782231
2-[(2-methyloxolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115688437
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83031072
cis-(1R,3S)-2,2-dimethyl-3-[(2-methyloxolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114092591
2-amino-N-[(2-methyloxolan-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668420

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide (CID 116678448) is 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide is CC(C(=O)NCC1(C)CCCO1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide?
The InChIKey is CODMDPZFYFWRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(10-6-13-7-10)11(15)14-8-12(2)4-3-5-16-12/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide?
2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.53, 4 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-[(2-methyloxolan-2-yl)methyl]propanamide is sourced from PubChem (CID 116678448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).