N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide

C18H23N3O6 — CID 4672915

IUPACN-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCCCOc1cc(CC(=O)NO)nc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C18H23N3O6/c1-5-6-27-16-10-12(9-15(22)21-23)19-18(20-16)11-7-13(24-2)17(26-4)14(8-11)25-3/h7-8,10,23H,5-6,9H2,1-4H3,(H,21,22)
InChIKeyXVXSDHNFOSJAJC-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.01
Rot. Bonds9

About N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide

N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 4672915) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID4672915
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC NameN-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCCCOc1cc(CC(=O)NO)nc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C18H23N3O6/c1-5-6-27-16-10-12(9-15(22)21-23)19-18(20-16)11-7-13(24-2)17(26-4)14(8-11)25-3/h7-8,10,23H,5-6,9H2,1-4H3,(H,21,22)
InChIKeyXVXSDHNFOSJAJC-UHFFFAOYSA-N
XLogP2.01
TPSA112.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[6-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-hydroxyacetamide
CID 3039017
2-[6-(azepan-2-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-hydroxyacetamide
CID 21151501
N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
CID 3044721
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-(4-propoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4796353
N-ethoxy-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168994
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46651422
2-(3-bromo-5-methoxy-4-propoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20990594
[2-oxo-2-(propylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572054

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide (CID 4672915) is N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide is CCCOc1cc(CC(=O)NO)nc(-c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is XVXSDHNFOSJAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-5-6-27-16-10-12(9-15(22)21-23)19-18(20-16)11-7-13(24-2)17(26-4)14(8-11)25-3/h7-8,10,23H,5-6,9H2,1-4H3,(H,21,22).
What are the key properties of N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[6-propoxy-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 4672915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).