N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide

C20H25N3O4 — CID 108529757

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)Nc2ncccc2C)cc1OCC
InChIInChI=1S/C20H25N3O4/c1-4-26-16-9-8-15(13-17(16)27-5-2)10-12-22-19(24)20(25)23-18-14(3)7-6-11-21-18/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyWPKUJHBNDAXVFJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.48
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide (PubChem CID 108529757) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
PubChem CID108529757
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)Nc2ncccc2C)cc1OCC
InChIInChI=1S/C20H25N3O4/c1-4-26-16-9-8-15(13-17(16)27-5-2)10-12-22-19(24)20(25)23-18-14(3)7-6-11-21-18/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyWPKUJHBNDAXVFJ-UHFFFAOYSA-N
XLogP2.48
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.48
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

N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 19685990
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
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'-naphthalen-2-yloxamide
CID 108528317
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519171
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
2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 23632472
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878449

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide (CID 108529757) is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide is CCOc1ccc(CCNC(=O)C(=O)Nc2ncccc2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide?
The InChIKey is WPKUJHBNDAXVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-26-16-9-8-15(13-17(16)27-5-2)10-12-22-19(24)20(25)23-18-14(3)7-6-11-21-18/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,22,24)(H,21,23,25).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide has a molecular weight of 371.44 g/mol, XLogP of 2.48, 8 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'-(3-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108529757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).