N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide

C14H26N2O2 — CID 163345401

IUPACN-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(CC2CCOC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)15-13(17)12-4-6-16(9-12)8-11-5-7-18-10-11/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyFJRNTFKRXDKSEK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds3

About N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide

N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 163345401) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID163345401
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(CC2CCOC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)15-13(17)12-4-6-16(9-12)8-11-5-7-18-10-11/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyFJRNTFKRXDKSEK-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide (CID 163345401) is N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CCN(CC2CCOC2)C1.
What is the InChIKey of N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is FJRNTFKRXDKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)15-13(17)12-4-6-16(9-12)8-11-5-7-18-10-11/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 163345401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).