N'-benzyl-N-(3-ethoxypropyl)oxamide

C14H20N2O3 — CID 21369938

IUPACN'-benzyl-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-19-10-6-9-15-13(17)14(18)16-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyNZGPIIURGZDKFR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.85
Rot. Bonds7

About N'-benzyl-N-(3-ethoxypropyl)oxamide

N'-benzyl-N-(3-ethoxypropyl)oxamide (PubChem CID 21369938) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-benzyl-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-(3-ethoxypropyl)oxamide
PubChem CID21369938
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-benzyl-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-19-10-6-9-15-13(17)14(18)16-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyNZGPIIURGZDKFR-UHFFFAOYSA-N
XLogP0.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
CID 2209969
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833
N-(3-ethoxypropyl)-2-(2-phenylethylamino)acetamide
CID 3226837
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872
1-[(3-bromophenyl)methyl]-3-(3-ethoxypropyl)urea
CID 108898807
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide
CID 108505286
1-[2-(benzylsulfamoyl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111224583

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-benzyl-N-(3-ethoxypropyl)oxamide (CID 21369938) is N'-benzyl-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-benzyl-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-benzyl-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-(3-ethoxypropyl)oxamide?
The InChIKey is NZGPIIURGZDKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-10-6-9-15-13(17)14(18)16-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-benzyl-N-(3-ethoxypropyl)oxamide?
N'-benzyl-N-(3-ethoxypropyl)oxamide has a molecular weight of 264.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 21369938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).