N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide

C13H24N2O2 — CID 106980679

IUPACN-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NC2CCCOC2)CCNC1
InChIInChI=1S/C13H24N2O2/c1-10(2)13(5-6-14-9-13)12(16)15-11-4-3-7-17-8-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyNVZAPTYYUDANFY-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.92
Rot. Bonds3

About N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980679) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980679
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NC2CCCOC2)CCNC1
InChIInChI=1S/C13H24N2O2/c1-10(2)13(5-6-14-9-13)12(16)15-11-4-3-7-17-8-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyNVZAPTYYUDANFY-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide
CID 63361296
N-(3-ethylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980796
N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979816
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 106979930
4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 106981085
N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114178691
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981151
N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982059
N-(oxan-3-yl)acetamide
CID 55285282

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980679) is N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NC2CCCOC2)CCNC1.
What is the InChIKey of N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NVZAPTYYUDANFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)13(5-6-14-9-13)12(16)15-11-4-3-7-17-8-11/h10-11,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).