N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide

C11H23N3O2 — CID 112991542

IUPACN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCCCN(C)C
InChIInChI=1S/C11H23N3O2/c1-4-6-10(15)13-9-11(16)12-7-5-8-14(2)3/h4-9H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyKKXPSWQTVZOOLN-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.03
Rot. Bonds8

About N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide

N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide (PubChem CID 112991542) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
PubChem CID112991542
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCCCN(C)C
InChIInChI=1S/C11H23N3O2/c1-4-6-10(15)13-9-11(16)12-7-5-8-14(2)3/h4-9H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyKKXPSWQTVZOOLN-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide (CID 112991542) is N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NCCCN(C)C.
What is the InChIKey of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide?
The InChIKey is KKXPSWQTVZOOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-6-10(15)13-9-11(16)12-7-5-8-14(2)3/h4-9H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide?
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 112991542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).