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

C14H20N2O4 — CID 114760478

IUPAC3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2(O)CCNC2)cc1O
InChIInChI=1S/C14H20N2O4/c1-16(9-14(19)5-6-15-8-14)13(18)10-3-4-12(20-2)11(17)7-10/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3
InChIKeyZTSTVRYOIAIAMB-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.20
Rot. Bonds4

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

3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide (PubChem CID 114760478) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
PubChem CID114760478
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2(O)CCNC2)cc1O
InChIInChI=1S/C14H20N2O4/c1-16(9-14(19)5-6-15-8-14)13(18)10-3-4-12(20-2)11(17)7-10/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3
InChIKeyZTSTVRYOIAIAMB-UHFFFAOYSA-N
XLogP0.20
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
CID 114760455
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
CID 114760377
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-propan-2-ylbenzamide
CID 114760168
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 114760357
4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide
CID 107671368
2-chloro-5-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 106500908
2-fluoro-4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 107675691
3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 79737443
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79600380

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide (CID 114760478) is 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC2(O)CCNC2)cc1O.
What is the InChIKey of 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is ZTSTVRYOIAIAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16(9-14(19)5-6-15-8-14)13(18)10-3-4-12(20-2)11(17)7-10/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3.
What are the key properties of 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide?
3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 280.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 114760478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).