2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide

C19H22N2O3 — CID 95210396

IUPAC2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1c(O)cccc1O
InChIInChI=1S/C19H22N2O3/c1-20(19(24)18-16(22)8-5-9-17(18)23)12-14-10-11-21(13-14)15-6-3-2-4-7-15/h2-9,14,22-23H,10-13H2,1H3/t14-/m1/s1
InChIKeyCJKZXVGOKMPBES-CQSZACIVSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds4

About 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide

2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide (PubChem CID 95210396) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
PubChem CID95210396
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1c(O)cccc1O
InChIInChI=1S/C19H22N2O3/c1-20(19(24)18-16(22)8-5-9-17(18)23)12-14-10-11-21(13-14)15-6-3-2-4-7-15/h2-9,14,22-23H,10-13H2,1H3/t14-/m1/s1
InChIKeyCJKZXVGOKMPBES-CQSZACIVSA-N
XLogP2.70
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 96581020
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97133696
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 70765652
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
CID 154912007
N-methyl-2-(1-methylimidazol-2-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97131034
N-methyl-2-(1-methylimidazol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70744638
1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide
CID 96574954

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide (CID 95210396) is 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide is CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The InChIKey is CJKZXVGOKMPBES-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20(19(24)18-16(22)8-5-9-17(18)23)12-14-10-11-21(13-14)15-6-3-2-4-7-15/h2-9,14,22-23H,10-13H2,1H3/t14-/m1/s1.
What are the key properties of 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95210396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).