N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide

C15H30N2O2 — CID 75378025

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)N1CCCC1(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)10-13(6-9-18)11-16-14(19)17-8-5-7-15(17,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19)
InChIKeyIJMUIABEYZOICR-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 75378025) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
PubChem CID75378025
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)N1CCCC1(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)10-13(6-9-18)11-16-14(19)17-8-5-7-15(17,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19)
InChIKeyIJMUIABEYZOICR-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide (CID 75378025) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide is CC(C)CC(CCO)CNC(=O)N1CCCC1(C)C.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is IJMUIABEYZOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)10-13(6-9-18)11-16-14(19)17-8-5-7-15(17,3)4/h12-13,18H,5-11H2,1-4H3,(H,16,19).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 75378025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).