2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide

C13H17NO4 — CID 103993294

IUPAC2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccc(O)cc2O)CCC1
InChIInChI=1S/C13H17NO4/c1-18-13(5-2-6-13)8-14-12(17)10-4-3-9(15)7-11(10)16/h3-4,7,15-16H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyYMMJGINNIJWJSK-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.40
Rot. Bonds4

About 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide

2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide (PubChem CID 103993294) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
PubChem CID103993294
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccc(O)cc2O)CCC1
InChIInChI=1S/C13H17NO4/c1-18-13(5-2-6-13)8-14-12(17)10-4-3-9(15)7-11(10)16/h3-4,7,15-16H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyYMMJGINNIJWJSK-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dihydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742421
2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993329
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide
CID 155951860
2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfanylbenzamide
CID 114120959
2-bromo-5-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 113362668
2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
CID 106812376
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
CID 103991189
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide (CID 103993294) is 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide is COC1(CNC(=O)c2ccc(O)cc2O)CCC1.
What is the InChIKey of 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide?
The InChIKey is YMMJGINNIJWJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-18-13(5-2-6-13)8-14-12(17)10-4-3-9(15)7-11(10)16/h3-4,7,15-16H,2,5-6,8H2,1H3,(H,14,17).
What are the key properties of 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide?
2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide has a molecular weight of 251.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 103993294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).