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

C11H22N2O2 — CID 87316109

IUPACN-[3-(diethylamino)propyl]-4-oxobutanamide
SMILESCCN(CC)CCCNC(=O)CCC=O
InChIInChI=1S/C11H22N2O2/c1-3-13(4-2)9-6-8-12-11(15)7-5-10-14/h10H,3-9H2,1-2H3,(H,12,15)
InChIKeyGFASWOFHDIDRPP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.81
Rot. Bonds9

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

N-[3-(diethylamino)propyl]-4-oxobutanamide (PubChem CID 87316109) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-oxobutanamide
PubChem CID87316109
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[3-(diethylamino)propyl]-4-oxobutanamide
SMILESCCN(CC)CCCNC(=O)CCC=O
InChIInChI=1S/C11H22N2O2/c1-3-13(4-2)9-6-8-12-11(15)7-5-10-14/h10H,3-9H2,1-2H3,(H,12,15)
InChIKeyGFASWOFHDIDRPP-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
ethyl 4-[3-(diethylamino)propylamino]-4-oxobutanoate
CID 60638277
N-[5-[hydroxy(propanoyl)amino]pentyl]-4-oxobutanamide
CID 145020426
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
6-oxo-N-pentylhexanamide
CID 90124095
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-oxobutanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-oxobutanamide (CID 87316109) is N-[3-(diethylamino)propyl]-4-oxobutanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-oxobutanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-oxobutanamide is CCN(CC)CCCNC(=O)CCC=O.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-oxobutanamide?
The InChIKey is GFASWOFHDIDRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-13(4-2)9-6-8-12-11(15)7-5-10-14/h10H,3-9H2,1-2H3,(H,12,15).
What are the key properties of N-[3-(diethylamino)propyl]-4-oxobutanamide?
N-[3-(diethylamino)propyl]-4-oxobutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.81, 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-oxobutanamide is sourced from PubChem (CID 87316109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).