2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide

C15H22N2O2 — CID 60712545

IUPAC2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCCN2CCCC2)c1O
InChIInChI=1S/C15H22N2O2/c1-12-6-4-7-13(14(12)18)15(19)16-8-5-11-17-9-2-3-10-17/h4,6-7,18H,2-3,5,8-11H2,1H3,(H,16,19)
InChIKeyWHPWUHCGAPZHAY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds5

About 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide

2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 60712545) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID60712545
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCCN2CCCC2)c1O
InChIInChI=1S/C15H22N2O2/c1-12-6-4-7-13(14(12)18)15(19)16-8-5-11-17-9-2-3-10-17/h4,6-7,18H,2-3,5,8-11H2,1H3,(H,16,19)
InChIKeyWHPWUHCGAPZHAY-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
2-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055
2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
CID 167628085
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
1,1-dihydroxy-N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophene-4-carboxamide
CID 70000023
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 60712545) is 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide is Cc1cccc(C(=O)NCCCN2CCCC2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is WHPWUHCGAPZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-6-4-7-13(14(12)18)15(19)16-8-5-11-17-9-2-3-10-17/h4,6-7,18H,2-3,5,8-11H2,1H3,(H,16,19).
What are the key properties of 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide?
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 60712545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).