2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide

C13H17NO4 — CID 113248973

IUPAC2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(O)CCC2)c1O
InChIInChI=1S/C13H17NO4/c1-18-10-5-2-4-9(11(10)15)12(16)14-8-13(17)6-3-7-13/h2,4-5,15,17H,3,6-8H2,1H3,(H,14,16)
InChIKeyNCODYZZTUYXKDB-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.05
Rot. Bonds4

About 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide

2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide (PubChem CID 113248973) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
PubChem CID113248973
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(O)CCC2)c1O
InChIInChI=1S/C13H17NO4/c1-18-10-5-2-4-9(11(10)15)12(16)14-8-13(17)6-3-7-13/h2,4-5,15,17H,3,6-8H2,1H3,(H,14,16)
InChIKeyNCODYZZTUYXKDB-UHFFFAOYSA-N
XLogP1.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738116
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111539711
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide (CID 113248973) is 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC2(O)CCC2)c1O.
What is the InChIKey of 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide?
The InChIKey is NCODYZZTUYXKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-18-10-5-2-4-9(11(10)15)12(16)14-8-13(17)6-3-7-13/h2,4-5,15,17H,3,6-8H2,1H3,(H,14,16).
What are the key properties of 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide?
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide has a molecular weight of 251.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 113248973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).