N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide

C17H34N4O3 — CID 20664951

IUPACN,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
SMILESCN(C)CCCN(C)C(=O)CC(=O)CC(=O)N(C)CCCN(C)C
InChIInChI=1S/C17H34N4O3/c1-18(2)9-7-11-20(5)16(23)13-15(22)14-17(24)21(6)12-8-10-19(3)4/h7-14H2,1-6H3
InChIKeyJPGISVIWPLKJLD-UHFFFAOYSA-N
MW342.48 g/mol
LogP0.16
Rot. Bonds12

About N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide

N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide (PubChem CID 20664951) has the molecular formula C17H34N4O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
PubChem CID20664951
Molecular FormulaC17H34N4O3
Molecular Weight342.48 g/mol
Exact Mass342.26
IUPAC NameN,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
SMILESCN(C)CCCN(C)C(=O)CC(=O)CC(=O)N(C)CCCN(C)C
InChIInChI=1S/C17H34N4O3/c1-18(2)9-7-11-20(5)16(23)13-15(22)14-17(24)21(6)12-8-10-19(3)4/h7-14H2,1-6H3
InChIKeyJPGISVIWPLKJLD-UHFFFAOYSA-N
XLogP0.16
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
N-[3-(dimethylamino)propyl]-4-hydroxy-N-methylbutanamide
CID 79191572
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide
CID 54022406
N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 169313143
4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299719
N'-[3-(dimethylamino)propyl]-N,N'-dimethyloxamide
CID 154666633
7-(dimethylamino)-N-[3-[ethyl(methyl)amino]propyl]-N-methylheptanamide
CID 168959154
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylacetamide
CID 63693325
(3Z)-3-amino-N-butyl-3-hydroxyimino-N-methylpropanamide
CID 43156068
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 63693670

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide?
The IUPAC name of N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide (CID 20664951) is N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide.
What is the SMILES notation for N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide?
The canonical SMILES for N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide is CN(C)CCCN(C)C(=O)CC(=O)CC(=O)N(C)CCCN(C)C.
What is the InChIKey of N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide?
The InChIKey is JPGISVIWPLKJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3/c1-18(2)9-7-11-20(5)16(23)13-15(22)14-17(24)21(6)12-8-10-19(3)4/h7-14H2,1-6H3.
What are the key properties of N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide?
N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide has a molecular weight of 342.48 g/mol, XLogP of 0.16, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide is sourced from PubChem (CID 20664951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).