N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C14H26N2O3 — CID 66109437

IUPACN-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCC(C)CCO)CC1=O
InChIInChI=1S/C14H26N2O3/c1-10(2)8-16-9-12(6-13(16)18)14(19)15-7-11(3)4-5-17/h10-12,17H,4-9H2,1-3H3,(H,15,19)
InChIKeyBKLWIYXSLDXKDH-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.63
Rot. Bonds7

About N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 66109437) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID66109437
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCC(C)CCO)CC1=O
InChIInChI=1S/C14H26N2O3/c1-10(2)8-16-9-12(6-13(16)18)14(19)15-7-11(3)4-5-17/h10-12,17H,4-9H2,1-3H3,(H,15,19)
InChIKeyBKLWIYXSLDXKDH-UHFFFAOYSA-N
XLogP0.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 61244580
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81064929
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623
N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 131942080
6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43352899
1-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369448
N-(2-hydroxy-2-methylpentyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103713275
(3R)-N-[2-[ethyl(methyl)amino]ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127297
N-(3-hydroxy-4-methoxybutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103877477
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 37004002

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 66109437) is N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCC(C)CCO)CC1=O.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BKLWIYXSLDXKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-16-9-12(6-13(16)18)14(19)15-7-11(3)4-5-17/h10-12,17H,4-9H2,1-3H3,(H,15,19).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 66109437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).