2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide

C15H21NO3 — CID 65113571

IUPAC2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCCCC2)c1O
InChIInChI=1S/C15H21NO3/c1-11-6-5-7-12(13(11)17)14(18)16-10-15(19)8-3-2-4-9-15/h5-7,17,19H,2-4,8-10H2,1H3,(H,16,18)
InChIKeyISXAQUJLZCRDAV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.13
Rot. Bonds3

About 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide

2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide (PubChem CID 65113571) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
PubChem CID65113571
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCCCC2)c1O
InChIInChI=1S/C15H21NO3/c1-11-6-5-7-12(13(11)17)14(18)16-10-15(19)8-3-2-4-9-15/h5-7,17,19H,2-4,8-10H2,1H3,(H,16,18)
InChIKeyISXAQUJLZCRDAV-UHFFFAOYSA-N
XLogP2.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide (CID 65113571) is 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC2(O)CCCCC2)c1O.
What is the InChIKey of 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide?
The InChIKey is ISXAQUJLZCRDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-6-5-7-12(13(11)17)14(18)16-10-15(19)8-3-2-4-9-15/h5-7,17,19H,2-4,8-10H2,1H3,(H,16,18).
What are the key properties of 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide?
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 65113571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).