N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide

C21H26N2O5 — CID 108985428

IUPACN'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(CCNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H26N2O5/c1-26-17-6-4-5-15(13-17)9-11-22-20(24)21(25)23-12-10-16-7-8-18(27-2)19(14-16)28-3/h4-8,13-14H,9-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYHOOKNVALLXZRJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.73
Rot. Bonds9

About N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide

N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide (PubChem CID 108985428) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
PubChem CID108985428
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(CCNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H26N2O5/c1-26-17-6-4-5-15(13-17)9-11-22-20(24)21(25)23-12-10-16-7-8-18(27-2)19(14-16)28-3/h4-8,13-14H,9-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYHOOKNVALLXZRJ-UHFFFAOYSA-N
XLogP1.73
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 139479360
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide (CID 108985428) is N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide is COc1cccc(CCNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide?
The InChIKey is YHOOKNVALLXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-26-17-6-4-5-15(13-17)9-11-22-20(24)21(25)23-12-10-16-7-8-18(27-2)19(14-16)28-3/h4-8,13-14H,9-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide?
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide has a molecular weight of 386.45 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108985428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).