N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide

C9H16N2O5 — CID 18741303

IUPACN-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
SMILESCOC(CNC(=O)C(=O)NCC(C)=O)OC
InChIInChI=1S/C9H16N2O5/c1-6(12)4-10-8(13)9(14)11-5-7(15-2)16-3/h7H,4-5H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyJPDWMTCOLARJOL-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.57
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide

N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide (PubChem CID 18741303) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
PubChem CID18741303
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC NameN-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
SMILESCOC(CNC(=O)C(=O)NCC(C)=O)OC
InChIInChI=1S/C9H16N2O5/c1-6(12)4-10-8(13)9(14)11-5-7(15-2)16-3/h7H,4-5H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyJPDWMTCOLARJOL-UHFFFAOYSA-N
XLogP-1.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
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'}

Analyze N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N1-(2,2-dimethoxyethyl)ethanediamide
CID 2774688
[(2,2-Dimethoxy-ethylaminooxalyl)-amino]-acetic acid ethyl ester
CID 9899933
N-ethyl-N'-(2,2-diethoxyethyl)oxamide
CID 13366331
N-(2,2-Diethoxyethyl)-N'-methyl-ethanediamide
CID 13366332
2-[bis(2-methoxyethyl)amino]-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide
CID 18711277
N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide
CID 18723916
2-[2-methoxyethyl(propyl)amino]-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide
CID 20709827
N-(2,2-dimethoxyethyl)-N'-methylethanediamide
CID 44997786
N-(2,2-dimethoxyethyl)-N'-ethylethanediamide
CID 44997787
N'-(2,2-dimethoxyethyl)-N-propyloxamide
CID 45585071
N-(2,2-dimethoxyethyl)-2-oxopentanamide
CID 58111384
N-(2-acetamidoethyl)-N-(2,2-diethoxyethyl)propanamide
CID 58123036

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide (CID 18741303) is N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide is COC(CNC(=O)C(=O)NCC(C)=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide?
The InChIKey is JPDWMTCOLARJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-6(12)4-10-8(13)9(14)11-5-7(15-2)16-3/h7H,4-5H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide?
N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide has a molecular weight of 232.24 g/mol, XLogP of -1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide is sourced from PubChem (CID 18741303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).