4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide

C14H20N2O3 — CID 107671368

IUPAC4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)CC1(O)CCNC1
InChIInChI=1S/C14H20N2O3/c1-10-7-11(17)3-4-12(10)13(18)16(2)9-14(19)5-6-15-8-14/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3
InChIKeyKRXUPNYZFRZIFT-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.50
Rot. Bonds3

About 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide

4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide (PubChem CID 107671368) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide
PubChem CID107671368
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)CC1(O)CCNC1
InChIInChI=1S/C14H20N2O3/c1-10-7-11(17)3-4-12(10)13(18)16(2)9-14(19)5-6-15-8-14/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3
InChIKeyKRXUPNYZFRZIFT-UHFFFAOYSA-N
XLogP0.50
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 107675691
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
2-chloro-5-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 106500908
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
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
CID 114760478
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
2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760433
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
CID 114760377

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide (CID 107671368) is 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide is Cc1cc(O)ccc1C(=O)N(C)CC1(O)CCNC1.
What is the InChIKey of 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide?
The InChIKey is KRXUPNYZFRZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-11(17)3-4-12(10)13(18)16(2)9-14(19)5-6-15-8-14/h3-4,7,15,17,19H,5-6,8-9H2,1-2H3.
What are the key properties of 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide?
4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 107671368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).