N'-[2-(dimethylamino)ethyl]-N-propyloxamide

C9H19N3O2 — CID 45497338

IUPACN'-[2-(dimethylamino)ethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCCN(C)C
InChIInChI=1S/C9H19N3O2/c1-4-5-10-8(13)9(14)11-6-7-12(2)3/h4-7H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyPBZGULNSCIBXEO-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.81
Rot. Bonds5

About N'-[2-(dimethylamino)ethyl]-N-propyloxamide

N'-[2-(dimethylamino)ethyl]-N-propyloxamide (PubChem CID 45497338) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-propyloxamide
PubChem CID45497338
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCCN(C)C
InChIInChI=1S/C9H19N3O2/c1-4-5-10-8(13)9(14)11-6-7-12(2)3/h4-7H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyPBZGULNSCIBXEO-UHFFFAOYSA-N
XLogP-0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-propyloxamide?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-propyloxamide (CID 45497338) is N'-[2-(dimethylamino)ethyl]-N-propyloxamide.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-propyloxamide?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-propyloxamide is CCCNC(=O)C(=O)NCCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-propyloxamide?
The InChIKey is PBZGULNSCIBXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-5-10-8(13)9(14)11-6-7-12(2)3/h4-7H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-propyloxamide?
N'-[2-(dimethylamino)ethyl]-N-propyloxamide has a molecular weight of 201.27 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-propyloxamide is sourced from PubChem (CID 45497338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).