2-(oxan-4-ylmethyl)azetidine-1-carboxamide

C10H18N2O2 — CID 154461255

IUPAC2-(oxan-4-ylmethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CCC1CC1CCOCC1
InChIInChI=1S/C10H18N2O2/c11-10(13)12-4-1-9(12)7-8-2-5-14-6-3-8/h8-9H,1-7H2,(H2,11,13)
InChIKeyBXDOLGYZVYFWFT-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.96
Rot. Bonds2

About 2-(oxan-4-ylmethyl)azetidine-1-carboxamide

2-(oxan-4-ylmethyl)azetidine-1-carboxamide (PubChem CID 154461255) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)azetidine-1-carboxamide
PubChem CID154461255
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(oxan-4-ylmethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CCC1CC1CCOCC1
InChIInChI=1S/C10H18N2O2/c11-10(13)12-4-1-9(12)7-8-2-5-14-6-3-8/h8-9H,1-7H2,(H2,11,13)
InChIKeyBXDOLGYZVYFWFT-UHFFFAOYSA-N
XLogP0.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethylazetidine-1-carboxamide
CID 176980111
2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 71881607
1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986
oxan-4-ylmethyl carbamate
CID 134587773
(2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide
CID 173130008
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 164634429
ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate
CID 165477067
2-amino-3-(oxan-4-yl)propanamide
CID 64990540
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
CID 165488230

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 2-(oxan-4-ylmethyl)azetidine-1-carboxamide (CID 154461255) is 2-(oxan-4-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 2-(oxan-4-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 2-(oxan-4-ylmethyl)azetidine-1-carboxamide is NC(=O)N1CCC1CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethyl)azetidine-1-carboxamide?
The InChIKey is BXDOLGYZVYFWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-10(13)12-4-1-9(12)7-8-2-5-14-6-3-8/h8-9H,1-7H2,(H2,11,13).
What are the key properties of 2-(oxan-4-ylmethyl)azetidine-1-carboxamide?
2-(oxan-4-ylmethyl)azetidine-1-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 154461255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).