N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide

C13H24N2O2 — CID 83032762

IUPACN-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C13H24N2O2/c1-9-11(4-6-14-9)12(16)15-10-5-7-17-13(2,3)8-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyUIKNUWGIKYYKLR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide

N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 83032762) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
PubChem CID83032762
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C13H24N2O2/c1-9-11(4-6-14-9)12(16)15-10-5-7-17-13(2,3)8-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyUIKNUWGIKYYKLR-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092749
N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide
CID 79384106
4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide
CID 83039312
3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 83028917
(2R,5S)-5-[(2,2-dimethyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945599
N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide
CID 83033104
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
CID 83033010
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 79388833
2-methyl-N-(1-methylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 79388554
N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779942
N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627965
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide (CID 83032762) is N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is UIKNUWGIKYYKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-11(4-6-14-9)12(16)15-10-5-7-17-13(2,3)8-10/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide?
N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 83032762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).