N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide

C13H18N2O6 — CID 107261003

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)C(N)=O)cc(OC)c1OC
InChIInChI=1S/C13H18N2O6/c1-19-9-4-7(5-10(20-2)11(9)21-3)13(18)15-6-8(16)12(14)17/h4-5,8,16H,6H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyNSGBNBHGGJDOQF-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.71
Rot. Bonds7

About N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide (PubChem CID 107261003) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
PubChem CID107261003
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)C(N)=O)cc(OC)c1OC
InChIInChI=1S/C13H18N2O6/c1-19-9-4-7(5-10(20-2)11(9)21-3)13(18)15-6-8(16)12(14)17/h4-5,8,16H,6H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyNSGBNBHGGJDOQF-UHFFFAOYSA-N
XLogP-0.71
TPSA120.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
N-(3-amino-3-hydroxyiminopropyl)-3,4,5-trimethoxybenzamide
CID 76952749
3,4,5-trimethoxy-N-[2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]ethyl]benzamide
CID 177491562

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide (CID 107261003) is N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC(O)C(N)=O)cc(OC)c1OC.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide?
The InChIKey is NSGBNBHGGJDOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-19-9-4-7(5-10(20-2)11(9)21-3)13(18)15-6-8(16)12(14)17/h4-5,8,16H,6H2,1-3H3,(H2,14,17)(H,15,18).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide has a molecular weight of 298.30 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 107261003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).