N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide

C15H22N2O6 — CID 50956090

IUPACN'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide
SMILESCOc1ccc(NC(=O)CC(=O)N(C)CC(O)CO)c(OC)c1
InChIInChI=1S/C15H22N2O6/c1-17(8-10(19)9-18)15(21)7-14(20)16-12-5-4-11(22-2)6-13(12)23-3/h4-6,10,18-19H,7-9H2,1-3H3,(H,16,20)
InChIKeyUMBMMAHTOBENKT-UHFFFAOYSA-N
MW326.35 g/mol
LogP-0.16
Rot. Bonds8

About N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide

N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide (PubChem CID 50956090) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide.

Molecular Properties

Compound NameN'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide
PubChem CID50956090
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC NameN'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide
SMILESCOc1ccc(NC(=O)CC(=O)N(C)CC(O)CO)c(OC)c1
InChIInChI=1S/C15H22N2O6/c1-17(8-10(19)9-18)15(21)7-14(20)16-12-5-4-11(22-2)6-13(12)23-3/h4-6,10,18-19H,7-9H2,1-3H3,(H,16,20)
InChIKeyUMBMMAHTOBENKT-UHFFFAOYSA-N
XLogP-0.16
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
CID 141249882
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 8692437
2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912912
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113115251
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
CID 99990373
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide?
The IUPAC name of N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide (CID 50956090) is N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide.
What is the SMILES notation for N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide?
The canonical SMILES for N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide is COc1ccc(NC(=O)CC(=O)N(C)CC(O)CO)c(OC)c1.
What is the InChIKey of N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide?
The InChIKey is UMBMMAHTOBENKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6/c1-17(8-10(19)9-18)15(21)7-14(20)16-12-5-4-11(22-2)6-13(12)23-3/h4-6,10,18-19H,7-9H2,1-3H3,(H,16,20).
What are the key properties of N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide?
N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide has a molecular weight of 326.35 g/mol, XLogP of -0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydroxypropyl)-N-(2,4-dimethoxyphenyl)-N'-methylpropanediamide is sourced from PubChem (CID 50956090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).