N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide

C12H25N3O3 — CID 108505282

IUPACN-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C12H25N3O3/c1-4-18-10-6-8-14-12(17)11(16)13-7-5-9-15(2)3/h4-10H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyOOAASFPOTVCPKE-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.40
Rot. Bonds9

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

N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide (PubChem CID 108505282) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
PubChem CID108505282
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C12H25N3O3/c1-4-18-10-6-8-14-12(17)11(16)13-7-5-9-15(2)3/h4-10H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyOOAASFPOTVCPKE-UHFFFAOYSA-N
XLogP-0.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.40
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'}

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Related Compounds

N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
1-[3-(dimethylamino)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945512
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
1-[4-(dimethylamino)butan-2-yl]-3-(3-ethoxypropyl)thiourea
CID 113227846
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
CID 58817776
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(3-ethoxypropyl)oxamide
CID 108505333
N'-cyclohexyl-N-(3-ethoxypropyl)-N'-methyloxamide
CID 108503625
ethane;4-ethoxy-N,N-dimethylbutan-1-amine
CID 144519642
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide (CID 108505282) is N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide?
The InChIKey is OOAASFPOTVCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-4-18-10-6-8-14-12(17)11(16)13-7-5-9-15(2)3/h4-10H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide has a molecular weight of 259.35 g/mol, XLogP of -0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 108505282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).