3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide

C20H24N2O2 — CID 59643693

IUPAC3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc(O)c1
InChIInChI=1S/C20H24N2O2/c1-13-11-14(2)19(22-9-4-5-10-22)15(3)18(13)21-20(24)16-7-6-8-17(23)12-16/h6-8,11-12,23H,4-5,9-10H2,1-3H3,(H,21,24)
InChIKeyNYVFCHDDGPJUNY-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.17
Rot. Bonds3

About 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide

3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 59643693) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID59643693
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc(O)c1
InChIInChI=1S/C20H24N2O2/c1-13-11-14(2)19(22-9-4-5-10-22)15(3)18(13)21-20(24)16-7-6-8-17(23)12-16/h6-8,11-12,23H,4-5,9-10H2,1-3H3,(H,21,24)
InChIKeyNYVFCHDDGPJUNY-UHFFFAOYSA-N
XLogP4.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643744
4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643639
3-[(4-fluorobenzoyl)amino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87603974
4-[(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 59643651
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
2-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)cyclohepta-1,5-diene-1-carboxamide
CID 88566002
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604418

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide (CID 59643693) is 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide is Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is NYVFCHDDGPJUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-11-14(2)19(22-9-4-5-10-22)15(3)18(13)21-20(24)16-7-6-8-17(23)12-16/h6-8,11-12,23H,4-5,9-10H2,1-3H3,(H,21,24).
What are the key properties of 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 59643693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).