3-(dibutylamino)-N-dodecylpropanamide

C23H48N2O — CID 123574973

IUPAC3-(dibutylamino)-N-dodecylpropanamide
SMILESCCCCCCCCCCCCNC(=O)CCN(CCCC)CCCC
InChIInChI=1S/C23H48N2O/c1-4-7-10-11-12-13-14-15-16-17-19-24-23(26)18-22-25(20-8-5-2)21-9-6-3/h4-22H2,1-3H3,(H,24,26)
InChIKeyIDQQDDMXZBKXHJ-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.32
Rot. Bonds20

About 3-(dibutylamino)-N-dodecylpropanamide

3-(dibutylamino)-N-dodecylpropanamide (PubChem CID 123574973) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is 3-(dibutylamino)-N-dodecylpropanamide.

Molecular Properties

Compound Name3-(dibutylamino)-N-dodecylpropanamide
PubChem CID123574973
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC Name3-(dibutylamino)-N-dodecylpropanamide
SMILESCCCCCCCCCCCCNC(=O)CCN(CCCC)CCCC
InChIInChI=1S/C23H48N2O/c1-4-7-10-11-12-13-14-15-16-17-19-24-23(26)18-22-25(20-8-5-2)21-9-6-3/h4-22H2,1-3H3,(H,24,26)
InChIKeyIDQQDDMXZBKXHJ-UHFFFAOYSA-N
XLogP6.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
CID 58040540

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-N-dodecylpropanamide?
The IUPAC name of 3-(dibutylamino)-N-dodecylpropanamide (CID 123574973) is 3-(dibutylamino)-N-dodecylpropanamide.
What is the SMILES notation for 3-(dibutylamino)-N-dodecylpropanamide?
The canonical SMILES for 3-(dibutylamino)-N-dodecylpropanamide is CCCCCCCCCCCCNC(=O)CCN(CCCC)CCCC.
What is the InChIKey of 3-(dibutylamino)-N-dodecylpropanamide?
The InChIKey is IDQQDDMXZBKXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-4-7-10-11-12-13-14-15-16-17-19-24-23(26)18-22-25(20-8-5-2)21-9-6-3/h4-22H2,1-3H3,(H,24,26).
What are the key properties of 3-(dibutylamino)-N-dodecylpropanamide?
3-(dibutylamino)-N-dodecylpropanamide has a molecular weight of 368.65 g/mol, XLogP of 6.32, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-N-dodecylpropanamide is sourced from PubChem (CID 123574973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).