N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide

C14H26N2O2 — CID 115159666

IUPACN-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1CCNC1)C1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,12-4-7-18-8-5-12)10-16-13(17)11-3-6-15-9-11/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyUJKXSERGRABHPV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.16
Rot. Bonds4

About N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide

N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 115159666) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID115159666
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1CCNC1)C1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,12-4-7-18-8-5-12)10-16-13(17)11-3-6-15-9-11/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyUJKXSERGRABHPV-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide (CID 115159666) is N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide is CC(C)(CNC(=O)C1CCNC1)C1CCOCC1.
What is the InChIKey of N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is UJKXSERGRABHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,12-4-7-18-8-5-12)10-16-13(17)11-3-6-15-9-11/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide?
N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).