N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide

C12H22N2O2 — CID 63139219

IUPACN,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C)CCNC1)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(5-6-13-9-12)11(15)14(2)10-3-7-16-8-4-10/h10,13H,3-9H2,1-2H3
InChIKeyGLUUKRXTHIODHH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds2

About N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide

N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide (PubChem CID 63139219) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
PubChem CID63139219
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C)CCNC1)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(5-6-13-9-12)11(15)14(2)10-3-7-16-8-4-10/h10,13H,3-9H2,1-2H3
InChIKeyGLUUKRXTHIODHH-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-(oxolan-3-yl)pyrrolidine-3-carboxamide
CID 82738226
N-cyclobutyl-N,3-dimethylpiperidine-3-carboxamide
CID 115747528
N-cyclobutyl-N,3-dimethylazetidine-3-carboxamide
CID 130915040
N,1-dimethyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 130553377
N-(cyclopentylmethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63657339
2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141423
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271
4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63124377
N-cyclopropyl-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143850
4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide
CID 66250019
4-[methyl-(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66235604
(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
CID 107138363

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide (CID 63139219) is N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide is CN(C(=O)C1(C)CCNC1)C1CCOCC1.
What is the InChIKey of N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is GLUUKRXTHIODHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(5-6-13-9-12)11(15)14(2)10-3-7-16-8-4-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).