N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide

C13H26N2O2 — CID 79388801

IUPACN-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)C1CCNC1C
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)15(8-9-16)13(17)12-6-7-14-10(12)3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyDICRCJADMVLILJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds6

About N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide

N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 79388801) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID79388801
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)C1CCNC1C
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)15(8-9-16)13(17)12-6-7-14-10(12)3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyDICRCJADMVLILJ-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 62341000
N-cyclohexyl-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79388366
N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide
CID 79388298
N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide
CID 79389006
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 79388128
4-amino-N-(2-hydroxyethyl)-N-pentan-3-yloxolane-3-carboxamide
CID 66236680
N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388536
2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79389026
3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 79385001
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
N-cyclopropyl-N-(2-methoxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79389096
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 79389330

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide (CID 79388801) is N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N(CCO)C(=O)C1CCNC1C.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is DICRCJADMVLILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(5-2)15(8-9-16)13(17)12-6-7-14-10(12)3/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide?
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).