N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide

C13H27N3O3 — CID 108524636

IUPACN-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)N(CC)CCO
InChIInChI=1S/C13H27N3O3/c1-4-15(5-2)9-7-8-14-12(18)13(19)16(6-3)10-11-17/h17H,4-11H2,1-3H3,(H,14,18)
InChIKeyTVQAHQJZDKJPQC-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.32
Rot. Bonds9

About N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide

N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide (PubChem CID 108524636) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
PubChem CID108524636
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC NameN-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)N(CC)CCO
InChIInChI=1S/C13H27N3O3/c1-4-15(5-2)9-7-8-14-12(18)13(19)16(6-3)10-11-17/h17H,4-11H2,1-3H3,(H,14,18)
InChIKeyTVQAHQJZDKJPQC-UHFFFAOYSA-N
XLogP-0.32
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)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

N',N'-diethyl-N-(2-hydroxyethyl)oxamide
CID 108526072
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732
N',N'-dibutyl-N-(2-hydroxyethyl)oxamide
CID 108524538
N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide
CID 108520921
N-[3-(diethylamino)propyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517232
N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
CID 108518765
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
CID 102992273
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108525120
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide (CID 108524636) is N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide is CCN(CC)CCCNC(=O)C(=O)N(CC)CCO.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The InChIKey is TVQAHQJZDKJPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-4-15(5-2)9-7-8-14-12(18)13(19)16(6-3)10-11-17/h17H,4-11H2,1-3H3,(H,14,18).
What are the key properties of N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide has a molecular weight of 273.38 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108524636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).