2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

C15H22N2O3 — CID 114344239

IUPAC2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2cccc(O)c2O)C1
InChIInChI=1S/C15H22N2O3/c1-10(2)17-7-6-11(9-17)8-16-15(20)12-4-3-5-13(18)14(12)19/h3-5,10-11,18-19H,6-9H2,1-2H3,(H,16,20)
InChIKeyJPERRBXACLJBTN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds4

About 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 114344239) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID114344239
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2cccc(O)c2O)C1
InChIInChI=1S/C15H22N2O3/c1-10(2)17-7-6-11(9-17)8-16-15(20)12-4-3-5-13(18)14(12)19/h3-5,10-11,18-19H,6-9H2,1-2H3,(H,16,20)
InChIKeyJPERRBXACLJBTN-UHFFFAOYSA-N
XLogP1.56
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 115330698
6-(ethylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 62238644
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60614096

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 114344239) is 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is CC(C)N1CCC(CNC(=O)c2cccc(O)c2O)C1.
What is the InChIKey of 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is JPERRBXACLJBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)17-7-6-11(9-17)8-16-15(20)12-4-3-5-13(18)14(12)19/h3-5,10-11,18-19H,6-9H2,1-2H3,(H,16,20).
What are the key properties of 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114344239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).