4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide

C15H21NO3 — CID 103867312

IUPAC4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H21NO3/c1-11-9-12(17)5-6-13(11)14(18)16(2)10-15(19)7-3-4-8-15/h5-6,9,17,19H,3-4,7-8,10H2,1-2H3
InChIKeyHKHBGGPSKSCHMK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds3

About 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide

4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide (PubChem CID 103867312) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
PubChem CID103867312
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H21NO3/c1-11-9-12(17)5-6-13(11)14(18)16(2)10-15(19)7-3-4-8-15/h5-6,9,17,19H,3-4,7-8,10H2,1-2H3
InChIKeyHKHBGGPSKSCHMK-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide
CID 107671368
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
2-fluoro-4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 107675691
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide (CID 103867312) is 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide is Cc1cc(O)ccc1C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is HKHBGGPSKSCHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-9-12(17)5-6-13(11)14(18)16(2)10-15(19)7-3-4-8-15/h5-6,9,17,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 103867312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).