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

C15H30N2O2 — CID 97037485

IUPACN-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC(C)C[C@H](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)/t13-/m0/s1
InChIKeyIJMUIABEYZOICR-ZDUSSCGKSA-N
MW270.42 g/mol
LogP2.62
Rot. Bonds6

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

N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 97037485) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
PubChem CID97037485
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC(C)C[C@H](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)/t13-/m0/s1
InChIKeyIJMUIABEYZOICR-ZDUSSCGKSA-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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Related Compounds

1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide
CID 119817743
(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839891
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111841147
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024
1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311419
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 111755095
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
2,2-dimethyl-N-[(2R)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840093
2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840092
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide (CID 97037485) is N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide is CC(C)C[C@H](CCO)CNC(=O)N1CCCC1(C)C.
What is the InChIKey of N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is IJMUIABEYZOICR-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide?
N-[(2R)-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-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97037485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).