N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide

C12H24N2O2 — CID 106147910

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCC(C)(C)CCO
InChIInChI=1S/C12H24N2O2/c1-9-6-13-7-10(9)11(16)14-8-12(2,3)4-5-15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyJYGLIDPQBKPVQE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.37
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 106147910) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID106147910
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCC(C)(C)CCO
InChIInChI=1S/C12H24N2O2/c1-9-6-13-7-10(9)11(16)14-8-12(2,3)4-5-15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyJYGLIDPQBKPVQE-UHFFFAOYSA-N
XLogP0.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
N-(4-hydroxy-2,2-dimethylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114150080
N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide
CID 106142987
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
2-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopentane-1-carboxamide
CID 106148063
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
N-(4-hydroxy-2,2-dimethylbutyl)morpholine-2-carboxamide
CID 106147940
4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
CID 82724672
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
CID 115747606

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide (CID 106147910) is N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is JYGLIDPQBKPVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-13-7-10(9)11(16)14-8-12(2,3)4-5-15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106147910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).