N'-[3-(dimethylamino)propyl]-N-ethyloxamide

C9H19N3O2 — CID 45000040

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

About N'-[3-(dimethylamino)propyl]-N-ethyloxamide

N'-[3-(dimethylamino)propyl]-N-ethyloxamide (PubChem CID 45000040) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N-ethyloxamide
PubChem CID45000040
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-[3-(dimethylamino)propyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C9H19N3O2/c1-4-10-8(13)9(14)11-6-5-7-12(2)3/h4-7H2,1-3H3,(H,10,13)(H,11,14)
InChIKeySRNSGUCMWVREIG-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
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-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
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'-[3-(dimethylamino)propyl]-N-ethyloxamide?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N-ethyloxamide (CID 45000040) is N'-[3-(dimethylamino)propyl]-N-ethyloxamide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N-ethyloxamide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N-ethyloxamide is CCNC(=O)C(=O)NCCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N-ethyloxamide?
The InChIKey is SRNSGUCMWVREIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-10-8(13)9(14)11-6-5-7-12(2)3/h4-7H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of N'-[3-(dimethylamino)propyl]-N-ethyloxamide?
N'-[3-(dimethylamino)propyl]-N-ethyloxamide 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'-[3-(dimethylamino)propyl]-N-ethyloxamide is sourced from PubChem (CID 45000040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).