N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide

C9H18ClN3O2 — CID 108513916

IUPACN'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCCCl
InChIInChI=1S/C9H18ClN3O2/c1-13(2)7-3-5-11-8(14)9(15)12-6-4-10/h3-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyGUCKXMITEDQHAU-UHFFFAOYSA-N
MW235.71 g/mol
LogP-0.59
Rot. Bonds6

About N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide

N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide (PubChem CID 108513916) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
PubChem CID108513916
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC NameN'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCCCl
InChIInChI=1S/C9H18ClN3O2/c1-13(2)7-3-5-11-8(14)9(15)12-6-4-10/h3-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyGUCKXMITEDQHAU-UHFFFAOYSA-N
XLogP-0.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]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'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
CID 162373354
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108513721
N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide
CID 108513733
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide?
The IUPAC name of N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide (CID 108513916) is N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide.
What is the SMILES notation for N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide?
The canonical SMILES for N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide is CN(C)CCCNC(=O)C(=O)NCCCl.
What is the InChIKey of N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide?
The InChIKey is GUCKXMITEDQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN3O2/c1-13(2)7-3-5-11-8(14)9(15)12-6-4-10/h3-7H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide?
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide has a molecular weight of 235.71 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide is sourced from PubChem (CID 108513916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).