3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide

C13H18N2O4 — CID 79731785

IUPAC3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@@H]2CNC[C@H]2O)cc1O
InChIInChI=1S/C13H18N2O4/c1-15(9-6-14-7-11(9)17)13(18)8-3-4-12(19-2)10(16)5-8/h3-5,9,11,14,16-17H,6-7H2,1-2H3/t9-,11-/m1/s1
InChIKeyPFYIKQVTKJXITL-MWLCHTKSSA-N
MW266.30 g/mol
LogP-0.19
Rot. Bonds3

About 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide

3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide (PubChem CID 79731785) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide
PubChem CID79731785
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@@H]2CNC[C@H]2O)cc1O
InChIInChI=1S/C13H18N2O4/c1-15(9-6-14-7-11(9)17)13(18)8-3-4-12(19-2)10(16)5-8/h3-5,9,11,14,16-17H,6-7H2,1-2H3/t9-,11-/m1/s1
InChIKeyPFYIKQVTKJXITL-MWLCHTKSSA-N
XLogP-0.19
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79726601
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide
CID 43595828
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide
CID 62919735
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-nitrobenzamide
CID 43595788
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
CID 114760478

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide (CID 79731785) is 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)[C@@H]2CNC[C@H]2O)cc1O.
What is the InChIKey of 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide?
The InChIKey is PFYIKQVTKJXITL-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(9-6-14-7-11(9)17)13(18)8-3-4-12(19-2)10(16)5-8/h3-5,9,11,14,16-17H,6-7H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide?
3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 79731785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).