N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C15H30N2O2 — CID 106255200

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H30N2O2/c1-5-14(6-2,11-18)9-17-13(19)15(12(3)4)7-8-16-10-15/h12,16,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyVBODKSNWGIYIOZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.54
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106255200) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106255200
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H30N2O2/c1-5-14(6-2,11-18)9-17-13(19)15(12(3)4)7-8-16-10-15/h12,16,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyVBODKSNWGIYIOZ-UHFFFAOYSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106255200) is N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CCC(CC)(CO)CNC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VBODKSNWGIYIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-14(6-2,11-18)9-17-13(19)15(12(3)4)7-8-16-10-15/h12,16,18H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106255200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).