N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide

C11H20N2O4 — CID 3156691

IUPACN'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H20N2O4/c1-2-8(7-14)13-11(16)10(15)12-6-9-4-3-5-17-9/h8-9,14H,2-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyWQVNIIJTMLRXDT-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.83
Rot. Bonds5

About N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide

N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 3156691) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID3156691
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H20N2O4/c1-2-8(7-14)13-11(16)10(15)12-6-9-4-3-5-17-9/h8-9,14H,2-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyWQVNIIJTMLRXDT-UHFFFAOYSA-N
XLogP-0.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-1-hydroxybutan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7242422
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
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
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide (CID 3156691) is N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide is CCC(CO)NC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is WQVNIIJTMLRXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-8(7-14)13-11(16)10(15)12-6-9-4-3-5-17-9/h8-9,14H,2-7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 244.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3156691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).