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

C15H21NO3 — CID 115760603

IUPAC2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCCC2)c(O)c1
InChIInChI=1S/C15H21NO3/c1-11-5-6-12(13(17)9-11)14(18)16(2)10-15(19)7-3-4-8-15/h5-6,9,17,19H,3-4,7-8,10H2,1-2H3
InChIKeyAPHVBQLPINVGCO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds3

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

2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide (PubChem CID 115760603) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
PubChem CID115760603
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCCC2)c(O)c1
InChIInChI=1S/C15H21NO3/c1-11-5-6-12(13(17)9-11)14(18)16(2)10-15(19)7-3-4-8-15/h5-6,9,17,19H,3-4,7-8,10H2,1-2H3
InChIKeyAPHVBQLPINVGCO-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

2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
N-[(3-bromocyclobutyl)methyl]-2-hydroxy-N,4-dimethylbenzamide
CID 80672604
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethylbenzamide
CID 114949584

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide (CID 115760603) is 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC2(O)CCCC2)c(O)c1.
What is the InChIKey of 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is APHVBQLPINVGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-6-12(13(17)9-11)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 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-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 2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 115760603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).