N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide

C12H17NO6 — CID 107845895

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(CO)(CO)CO)c1
InChIInChI=1S/C12H17NO6/c1-19-8-2-3-10(17)9(4-8)11(18)13-12(5-14,6-15)7-16/h2-4,14-17H,5-7H2,1H3,(H,13,18)
InChIKeyPWYHGYIFEPFJBP-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.15
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide (PubChem CID 107845895) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
PubChem CID107845895
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(CO)(CO)CO)c1
InChIInChI=1S/C12H17NO6/c1-19-8-2-3-10(17)9(4-8)11(18)13-12(5-14,6-15)7-16/h2-4,14-17H,5-7H2,1H3,(H,13,18)
InChIKeyPWYHGYIFEPFJBP-UHFFFAOYSA-N
XLogP-1.15
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
N-[3-(bromomethyl)pentan-3-yl]-2-hydroxy-5-methoxybenzamide
CID 114315265
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethoxybenzamide
CID 107844964
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
CID 113341083
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106168602
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 58728327
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide (CID 107845895) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC(CO)(CO)CO)c1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is PWYHGYIFEPFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-19-8-2-3-10(17)9(4-8)11(18)13-12(5-14,6-15)7-16/h2-4,14-17H,5-7H2,1H3,(H,13,18).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 271.27 g/mol, XLogP of -1.15, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 107845895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).