N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C15H28N2O3 — CID 111461395

IUPACN-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(O)CCNC(=O)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C15H28N2O3/c1-10(2)12(18)7-8-16-15(20)14(11(3)4)17-9-5-6-13(17)19/h10-12,14,18H,5-9H2,1-4H3,(H,16,20)
InChIKeyPAENXGNQEWAFGT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.16
Rot. Bonds7

About N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 111461395) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID111461395
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(O)CCNC(=O)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C15H28N2O3/c1-10(2)12(18)7-8-16-15(20)14(11(3)4)17-9-5-6-13(17)19/h10-12,14,18H,5-9H2,1-4H3,(H,16,20)
InChIKeyPAENXGNQEWAFGT-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119558817
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95352824
2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 111460652

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 111461395) is N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)C(O)CCNC(=O)C(C(C)C)N1CCCC1=O.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is PAENXGNQEWAFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)12(18)7-8-16-15(20)14(11(3)4)17-9-5-6-13(17)19/h10-12,14,18H,5-9H2,1-4H3,(H,16,20).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 284.40 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 111461395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).