N-butyl-N'-(2-methoxyethyl)oxamide

C9H18N2O3 — CID 2291239

IUPACN-butyl-N'-(2-methoxyethyl)oxamide
SMILESCCCCNC(=O)C(=O)NCCOC
InChIInChI=1S/C9H18N2O3/c1-3-4-5-10-8(12)9(13)11-6-7-14-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyYYGKMRIIXJKIMP-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.33
Rot. Bonds6

About N-butyl-N'-(2-methoxyethyl)oxamide

N-butyl-N'-(2-methoxyethyl)oxamide (PubChem CID 2291239) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-butyl-N'-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(2-methoxyethyl)oxamide
PubChem CID2291239
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-butyl-N'-(2-methoxyethyl)oxamide
SMILESCCCCNC(=O)C(=O)NCCOC
InChIInChI=1S/C9H18N2O3/c1-3-4-5-10-8(12)9(13)11-6-7-14-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyYYGKMRIIXJKIMP-UHFFFAOYSA-N
XLogP-0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.33
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

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CID 123335
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N,N'-dibutyloxamide
CID 352186
N-(2-Methoxyethyl)-1-piperazineacetamide
CID 7131115
1-(2-Methoxyethyl)-1,4-diazepan-2-one
CID 65362069
N-isobutyl-N'-[2-(vinyloxy)ethyl]ethanediamide
CID 2291810
N,N'-Bis-(3-ethoxy-propyl)-oxalamide
CID 3127284
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927
N-(1-methoxypropan-2-yl)-2-pyrrolidin-1-ylacetamide
CID 47010383
2-(2-ethylmorpholin-4-yl)-N-(2-methoxyethyl)acetamide
CID 53525516

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-methoxyethyl)oxamide?
The IUPAC name of N-butyl-N'-(2-methoxyethyl)oxamide (CID 2291239) is N-butyl-N'-(2-methoxyethyl)oxamide.
What is the SMILES notation for N-butyl-N'-(2-methoxyethyl)oxamide?
The canonical SMILES for N-butyl-N'-(2-methoxyethyl)oxamide is CCCCNC(=O)C(=O)NCCOC.
What is the InChIKey of N-butyl-N'-(2-methoxyethyl)oxamide?
The InChIKey is YYGKMRIIXJKIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-4-5-10-8(12)9(13)11-6-7-14-2/h3-7H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-butyl-N'-(2-methoxyethyl)oxamide?
N-butyl-N'-(2-methoxyethyl)oxamide has a molecular weight of 202.25 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-methoxyethyl)oxamide is sourced from PubChem (CID 2291239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).