N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide

C14H29N3O2 — CID 138736388

IUPACN-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide
SMILESCCC(=O)CCCCC(=O)NCCNCCN(C)C
InChIInChI=1S/C14H29N3O2/c1-4-13(18)7-5-6-8-14(19)16-10-9-15-11-12-17(2)3/h15H,4-12H2,1-3H3,(H,16,19)
InChIKeyKNSJCHLOPMXZQB-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.79
Rot. Bonds12

About N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide

N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide (PubChem CID 138736388) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide
PubChem CID138736388
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide
SMILESCCC(=O)CCCCC(=O)NCCNCCN(C)C
InChIInChI=1S/C14H29N3O2/c1-4-13(18)7-5-6-8-14(19)16-10-9-15-11-12-17(2)3/h15H,4-12H2,1-3H3,(H,16,19)
InChIKeyKNSJCHLOPMXZQB-UHFFFAOYSA-N
XLogP0.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 156819961
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CID 90448629
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
N-(4-oxohexyl)pentadecanamide
CID 170421941
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide (CID 138736388) is N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide is CCC(=O)CCCCC(=O)NCCNCCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide?
The InChIKey is KNSJCHLOPMXZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-13(18)7-5-6-8-14(19)16-10-9-15-11-12-17(2)3/h15H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide?
N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide has a molecular weight of 271.40 g/mol, XLogP of 0.79, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide is sourced from PubChem (CID 138736388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).