N-[3-(diethylamino)propyl]-4-oxopentanamide

C12H24N2O2 — CID 60638247

IUPACN-[3-(diethylamino)propyl]-4-oxopentanamide
SMILESCCN(CC)CCCNC(=O)CCC(C)=O
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)10-6-9-13-12(16)8-7-11(3)15/h4-10H2,1-3H3,(H,13,16)
InChIKeyPMPZHYXRFZPDJH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.20
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-oxopentanamide

N-[3-(diethylamino)propyl]-4-oxopentanamide (PubChem CID 60638247) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-oxopentanamide
PubChem CID60638247
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[3-(diethylamino)propyl]-4-oxopentanamide
SMILESCCN(CC)CCCNC(=O)CCC(C)=O
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)10-6-9-13-12(16)8-7-11(3)15/h4-10H2,1-3H3,(H,13,16)
InChIKeyPMPZHYXRFZPDJH-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-(diethylamino)propylamino]-4-oxobutanoate
CID 60638277
N-[3-(diethylamino)propyl]-4-oxobutanamide
CID 87316109
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948
N',N'-bis(3-aminopropyl)-N-[3-[3-[[4-[bis(3-aminopropyl)amino]-4-oxobutanoyl]amino]propyl-(4-oxopentanoyl)amino]propyl]butanediamide;ethane
CID 143837667
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-oxopentanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-oxopentanamide (CID 60638247) is N-[3-(diethylamino)propyl]-4-oxopentanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-oxopentanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-oxopentanamide is CCN(CC)CCCNC(=O)CCC(C)=O.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-oxopentanamide?
The InChIKey is PMPZHYXRFZPDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14(5-2)10-6-9-13-12(16)8-7-11(3)15/h4-10H2,1-3H3,(H,13,16).
What are the key properties of N-[3-(diethylamino)propyl]-4-oxopentanamide?
N-[3-(diethylamino)propyl]-4-oxopentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-oxopentanamide is sourced from PubChem (CID 60638247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).