N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide

C13H19NO5 — CID 83030336

IUPACN-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](C)O)c(OC)c1OC
InChIInChI=1S/C13H19NO5/c1-8(15)7-14-13(16)9-5-6-10(17-2)12(19-4)11(9)18-3/h5-6,8,15H,7H2,1-4H3,(H,14,16)/t8-/m0/s1
InChIKeySIOLMYREIZVHLY-QMMMGPOBSA-N
MW269.30 g/mol
LogP0.82
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide

N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide (PubChem CID 83030336) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
PubChem CID83030336
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](C)O)c(OC)c1OC
InChIInChI=1S/C13H19NO5/c1-8(15)7-14-13(16)9-5-6-10(17-2)12(19-4)11(9)18-3/h5-6,8,15H,7H2,1-4H3,(H,14,16)/t8-/m0/s1
InChIKeySIOLMYREIZVHLY-QMMMGPOBSA-N
XLogP0.82
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylpropyl)-2,3,4-trimethoxybenzamide
CID 114302515
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
2,3,4-trimethoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55980283
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 744548
N-[(2S)-2-(1-adamantyloxy)propyl]-2,3,4-trimethoxybenzamide
CID 7322140
2,3,4-trimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598793
3-[(2,3,4-trimethoxybenzoyl)amino]butanoic acid
CID 43410447
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide (CID 83030336) is N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC[C@H](C)O)c(OC)c1OC.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide?
The InChIKey is SIOLMYREIZVHLY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19NO5/c1-8(15)7-14-13(16)9-5-6-10(17-2)12(19-4)11(9)18-3/h5-6,8,15H,7H2,1-4H3,(H,14,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide?
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide has a molecular weight of 269.30 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 83030336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).