N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide

C18H28N2O2 — CID 111484468

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)18(4,22)12-19-17(21)15-11-14(3)7-8-16(15)20-9-5-6-10-20/h7-8,11,13,22H,5-6,9-10,12H2,1-4H3,(H,19,21)
InChIKeyQOSNTMJEYIKBOT-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.73
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide

N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 111484468) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
PubChem CID111484468
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)18(4,22)12-19-17(21)15-11-14(3)7-8-16(15)20-9-5-6-10-20/h7-8,11,13,22H,5-6,9-10,12H2,1-4H3,(H,19,21)
InChIKeyQOSNTMJEYIKBOT-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 119348543
2-methyl-3-[methyl-(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 122111662
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 95629166
5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536950
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 166208823
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
CID 111484272
2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
CID 70532427
5-amino-N-ethyl-2-piperidin-1-ylbenzamide
CID 100651237
2-(5-methyl-2-piperidin-1-ylphenyl)propan-2-ol
CID 117339104
1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
CID 145007823

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide (CID 111484468) is N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide is Cc1ccc(N2CCCC2)c(C(=O)NCC(C)(O)C(C)C)c1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is QOSNTMJEYIKBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)18(4,22)12-19-17(21)15-11-14(3)7-8-16(15)20-9-5-6-10-20/h7-8,11,13,22H,5-6,9-10,12H2,1-4H3,(H,19,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide?
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 304.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 111484468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).