N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide

C11H20N2O3 — CID 3149550

IUPACN'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
SMILESCCC(C)NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H20N2O3/c1-3-8(2)13-11(15)10(14)12-7-9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyWGOWPTRYWNOHPX-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.20
Rot. Bonds4

About N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide

N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 3149550) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
PubChem CID3149550
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
SMILESCCC(C)NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H20N2O3/c1-3-8(2)13-11(15)10(14)12-7-9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyWGOWPTRYWNOHPX-UHFFFAOYSA-N
XLogP0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide
CID 3156691
N'-[(2R)-1-hydroxybutan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7242422
4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145407
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
2-[[(butan-2-ylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492222
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide (CID 3149550) is N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide is CCC(C)NC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is WGOWPTRYWNOHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8(2)13-11(15)10(14)12-7-9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide?
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 228.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3149550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).