2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide

C13H18N2O3 — CID 55026964

IUPAC2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(C(=O)N(C)C2CCNC2)c1O
InChIInChI=1S/C13H18N2O3/c1-15(9-6-7-14-8-9)13(17)10-4-3-5-11(18-2)12(10)16/h3-5,9,14,16H,6-8H2,1-2H3
InChIKeyYMSVVVSBXQAUOB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.83
Rot. Bonds3

About 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide

2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 55026964) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID55026964
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(C(=O)N(C)C2CCNC2)c1O
InChIInChI=1S/C13H18N2O3/c1-15(9-6-7-14-8-9)13(17)10-4-3-5-11(18-2)12(10)16/h3-5,9,14,16H,6-8H2,1-2H3
InChIKeyYMSVVVSBXQAUOB-UHFFFAOYSA-N
XLogP0.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2-hydroxy-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60806691
2,3-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807050
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
N-ethyl-2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 60807403
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
2,6-dimethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602191
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 55026964) is 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide is COc1cccc(C(=O)N(C)C2CCNC2)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is YMSVVVSBXQAUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(9-6-7-14-8-9)13(17)10-4-3-5-11(18-2)12(10)16/h3-5,9,14,16H,6-8H2,1-2H3.
What are the key properties of 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 55026964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).