N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide

C13H24N2O3 — CID 83033104

IUPACN-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC2CCOC(C)(C)C2)C1
InChIInChI=1S/C13H24N2O3/c1-13(2)7-9(4-5-18-13)15-12(16)11-6-10(17-3)8-14-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyBJGWURNNBWUFQN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.44
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide

N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 83033104) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID83033104
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC2CCOC(C)(C)C2)C1
InChIInChI=1S/C13H24N2O3/c1-13(2)7-9(4-5-18-13)15-12(16)11-6-10(17-3)8-14-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyBJGWURNNBWUFQN-UHFFFAOYSA-N
XLogP0.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 61249003
N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 83032762
(2R,4S)-4-methoxy-N-(2-methylcyclopropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 130978968
4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239535
3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 83028917
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
CID 130657923
(2R,5S)-5-[(2,2-dimethyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945599
cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092749
N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833117
4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide
CID 83039312
(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116560515
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide (CID 83033104) is N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC2CCOC(C)(C)C2)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is BJGWURNNBWUFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2)7-9(4-5-18-13)15-12(16)11-6-10(17-3)8-14-11/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide?
N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 83033104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).