N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide

C10H20N2O5 — CID 108526359

IUPACN-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCC(OC)OC
InChIInChI=1S/C10H20N2O5/c1-4-7(6-13)12-10(15)9(14)11-5-8(16-2)17-3/h7-8,13H,4-6H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyXPFYQOCMTZPVLF-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.39
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide

N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide (PubChem CID 108526359) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide
PubChem CID108526359
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC NameN-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCC(OC)OC
InChIInChI=1S/C10H20N2O5/c1-4-7(6-13)12-10(15)9(14)11-5-8(16-2)17-3/h7-8,13H,4-6H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyXPFYQOCMTZPVLF-UHFFFAOYSA-N
XLogP-1.39
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide
CID 108530037
N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide
CID 108525813
2,2-dimethoxyethylcarbamic acid
CID 18938836
N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510377
4-(2,2-dimethoxyethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992948
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 10866636
N'-cyclobutyl-N-(2,2-dimethoxyethyl)oxamide
CID 166103905
2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
CID 91212468
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide (CID 108526359) is N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide is CCC(CO)NC(=O)C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The InChIKey is XPFYQOCMTZPVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-4-7(6-13)12-10(15)9(14)11-5-8(16-2)17-3/h7-8,13H,4-6H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide?
N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide has a molecular weight of 248.28 g/mol, XLogP of -1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide is sourced from PubChem (CID 108526359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).