N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide

C24H26N2O4 — CID 108528317

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)Nc2ccc3ccccc3c2)cc1OCC
InChIInChI=1S/C24H26N2O4/c1-3-29-21-12-9-17(15-22(21)30-4-2)13-14-25-23(27)24(28)26-20-11-10-18-7-5-6-8-19(18)16-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZBBUYAKWSGOUHK-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.93
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide (PubChem CID 108528317) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide
PubChem CID108528317
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)Nc2ccc3ccccc3c2)cc1OCC
InChIInChI=1S/C24H26N2O4/c1-3-29-21-12-9-17(15-22(21)30-4-2)13-14-25-23(27)24(28)26-20-11-10-18-7-5-6-8-19(18)16-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZBBUYAKWSGOUHK-UHFFFAOYSA-N
XLogP3.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512624
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 108529747
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 108529772
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501437
[4-[[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527792
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
CID 108529757
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
1-(2-bromophenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108868804

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide (CID 108528317) is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide is CCOc1ccc(CCNC(=O)C(=O)Nc2ccc3ccccc3c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide?
The InChIKey is ZBBUYAKWSGOUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-29-21-12-9-17(15-22(21)30-4-2)13-14-25-23(27)24(28)26-20-11-10-18-7-5-6-8-19(18)16-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide has a molecular weight of 406.48 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide is sourced from PubChem (CID 108528317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).