N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide

C9H17N3O3 — CID 82740649

IUPACN-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide
SMILESCN(C(=O)C(=O)NCCN)C1CCOC1
InChIInChI=1S/C9H17N3O3/c1-12(7-2-5-15-6-7)9(14)8(13)11-4-3-10/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyQOCZQZMEBHWNMR-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.69
Rot. Bonds3

About N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide

N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide (PubChem CID 82740649) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide
PubChem CID82740649
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide
SMILESCN(C(=O)C(=O)NCCN)C1CCOC1
InChIInChI=1S/C9H17N3O3/c1-12(7-2-5-15-6-7)9(14)8(13)11-4-3-10/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyQOCZQZMEBHWNMR-UHFFFAOYSA-N
XLogP-1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)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

3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
6-amino-N,4-dimethyl-N-(oxolan-3-yl)hexanamide
CID 82738778
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
CID 82737943
N-(3-aminopropyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82731736
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid
CID 82749425
(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120792261
N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
CID 107206578
4-amino-N,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 81489962
3-butyl-1-methyl-1-(oxolan-3-yl)thiourea
CID 115617017

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide (CID 82740649) is N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide is CN(C(=O)C(=O)NCCN)C1CCOC1.
What is the InChIKey of N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide?
The InChIKey is QOCZQZMEBHWNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-12(7-2-5-15-6-7)9(14)8(13)11-4-3-10/h7H,2-6,10H2,1H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide?
N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide has a molecular weight of 215.25 g/mol, XLogP of -1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide is sourced from PubChem (CID 82740649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).