N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide

C9H18N2O3 — CID 51896499

IUPACN'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide
SMILESCC[C@H](C)NC(=O)C(=O)NCCOC
InChIInChI=1S/C9H18N2O3/c1-4-7(2)11-9(13)8(12)10-5-6-14-3/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)/t7-/m0/s1
InChIKeySFWUCBKNVPVAPN-ZETCQYMHSA-N
MW202.25 g/mol
LogP-0.34
Rot. Bonds5

About N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide

N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide (PubChem CID 51896499) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide
PubChem CID51896499
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide
SMILESCC[C@H](C)NC(=O)C(=O)NCCOC
InChIInChI=1S/C9H18N2O3/c1-4-7(2)11-9(13)8(12)10-5-6-14-3/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)/t7-/m0/s1
InChIKeySFWUCBKNVPVAPN-ZETCQYMHSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.34
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-(propan-2-yl)-N'-[3-(propan-2-yloxy)propyl]ethanediamide
CID 2291413
N-methyl-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3126762
N-isopropyl-N'-[2-(vinyloxy)ethyl]ethanediamide
CID 2057115
ST040666
CID 469965
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
N,N'-diisopropyloxamide
CID 245845
1-(2-Methoxyethyl)-1,4-diazepan-2-one
CID 65362069
N-isobutyl-N'-[2-(vinyloxy)ethyl]ethanediamide
CID 2291810
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide (CID 51896499) is N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide is CC[C@H](C)NC(=O)C(=O)NCCOC.
What is the InChIKey of N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide?
The InChIKey is SFWUCBKNVPVAPN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-7(2)11-9(13)8(12)10-5-6-14-3/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)/t7-/m0/s1.
What are the key properties of N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide?
N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide has a molecular weight of 202.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-butan-2-yl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 51896499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).