N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide

C16H24N2O5 — CID 172894059

IUPACN-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
SMILESCCOC(CCNC(=O)C(=O)Nc1cccc(OC)c1)OCC
InChIInChI=1S/C16H24N2O5/c1-4-22-14(23-5-2)9-10-17-15(19)16(20)18-12-7-6-8-13(11-12)21-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUNEISPXQYSIEAL-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.54
Rot. Bonds9

About N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide

N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide (PubChem CID 172894059) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
PubChem CID172894059
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC NameN-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
SMILESCCOC(CCNC(=O)C(=O)Nc1cccc(OC)c1)OCC
InChIInChI=1S/C16H24N2O5/c1-4-22-14(23-5-2)9-10-17-15(19)16(20)18-12-7-6-8-13(11-12)21-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUNEISPXQYSIEAL-UHFFFAOYSA-N
XLogP1.54
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diethoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 172894057
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 2268249
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404
1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
CID 113498087
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7160825
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide (CID 172894059) is N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide is CCOC(CCNC(=O)C(=O)Nc1cccc(OC)c1)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide?
The InChIKey is UNEISPXQYSIEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-4-22-14(23-5-2)9-10-17-15(19)16(20)18-12-7-6-8-13(11-12)21-3/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide?
N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide has a molecular weight of 324.38 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 172894059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).