N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide

C17H26N2O5 — CID 108526714

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)N(C)CCO)cc1OCC
InChIInChI=1S/C17H26N2O5/c1-4-23-14-7-6-13(12-15(14)24-5-2)8-9-18-16(21)17(22)19(3)10-11-20/h6-7,12,20H,4-5,8-11H2,1-3H3,(H,18,21)
InChIKeyGXHKAASXMRMTRQ-UHFFFAOYSA-N
MW338.40 g/mol
LogP0.59
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide (PubChem CID 108526714) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide
PubChem CID108526714
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)N(C)CCO)cc1OCC
InChIInChI=1S/C17H26N2O5/c1-4-23-14-7-6-13(12-15(14)24-5-2)8-9-18-16(21)17(22)19(3)10-11-20/h6-7,12,20H,4-5,8-11H2,1-3H3,(H,18,21)
InChIKeyGXHKAASXMRMTRQ-UHFFFAOYSA-N
XLogP0.59
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 50.59
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

3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891657
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519171
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891376
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82097748
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide (CID 108526714) is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide is CCOc1ccc(CCNC(=O)C(=O)N(C)CCO)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide?
The InChIKey is GXHKAASXMRMTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-4-23-14-7-6-13(12-15(14)24-5-2)8-9-18-16(21)17(22)19(3)10-11-20/h6-7,12,20H,4-5,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide has a molecular weight of 338.40 g/mol, XLogP of 0.59, 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-diethoxyphenyl)ethyl]-N'-(2-hydroxyethyl)-N'-methyloxamide is sourced from PubChem (CID 108526714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).