N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide

C19H20N2O6 — CID 2291128

IUPACN'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C19H20N2O6/c1-24-14-5-3-12(9-16(14)25-2)7-8-20-18(22)19(23)21-13-4-6-15-17(10-13)27-11-26-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIZTRNTPRTUVZQO-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.73
Rot. Bonds6

About N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide

N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide (PubChem CID 2291128) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
PubChem CID2291128
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C19H20N2O6/c1-24-14-5-3-12(9-16(14)25-2)7-8-20-18(22)19(23)21-13-4-6-15-17(10-13)27-11-26-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIZTRNTPRTUVZQO-UHFFFAOYSA-N
XLogP1.73
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295966
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 111214767
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027867
methyl 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoacetate
CID 14564794
N,N'-bis(1,3-benzodioxol-5-yl)butanediamide;N,N'-bis[2-(1,3-benzodioxol-5-yl)ethyl]butanediamide;N,N'-bis[2-(1,3-benzodioxol-5-yl)ethyl]oxamide;N,N'-bis(1,3-benzodioxol-5-ylmethyl)butanediamide;N,N'-bis(1,3-benzodioxol-5-ylmethyl)oxamide;N,N'-bis(1,3-benzodioxol-5-yl)oxamide
CID 159917203
3-(1,3-benzodioxol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028209
N'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698891
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108506267

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide (CID 2291128) is N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The InChIKey is IZTRNTPRTUVZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-24-14-5-3-12(9-16(14)25-2)7-8-20-18(22)19(23)21-13-4-6-15-17(10-13)27-11-26-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide has a molecular weight of 372.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 2291128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).