N-[2-(dibutylamino)ethyl]dodecanamide

C22H46N2O — CID 23372327

IUPACN-[2-(dibutylamino)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCN(CCCC)CCCC
InChIInChI=1S/C22H46N2O/c1-4-7-10-11-12-13-14-15-16-17-22(25)23-18-21-24(19-8-5-2)20-9-6-3/h4-21H2,1-3H3,(H,23,25)
InChIKeyKAVRYSFAVDAORJ-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.93
Rot. Bonds19

About N-[2-(dibutylamino)ethyl]dodecanamide

N-[2-(dibutylamino)ethyl]dodecanamide (PubChem CID 23372327) has the molecular formula C22H46N2O and a molecular weight of 354.62 g/mol. Its IUPAC name is N-[2-(dibutylamino)ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-(dibutylamino)ethyl]dodecanamide
PubChem CID23372327
Molecular FormulaC22H46N2O
Molecular Weight354.62 g/mol
Exact Mass354.36
IUPAC NameN-[2-(dibutylamino)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCN(CCCC)CCCC
InChIInChI=1S/C22H46N2O/c1-4-7-10-11-12-13-14-15-16-17-22(25)23-18-21-24(19-8-5-2)20-9-6-3/h4-21H2,1-3H3,(H,23,25)
InChIKeyKAVRYSFAVDAORJ-UHFFFAOYSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.93
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

N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
ethane;N-heptylhexadecanamide
CID 142440540

Frequently Asked Questions

What is the IUPAC name of N-[2-(dibutylamino)ethyl]dodecanamide?
The IUPAC name of N-[2-(dibutylamino)ethyl]dodecanamide (CID 23372327) is N-[2-(dibutylamino)ethyl]dodecanamide.
What is the SMILES notation for N-[2-(dibutylamino)ethyl]dodecanamide?
The canonical SMILES for N-[2-(dibutylamino)ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCCN(CCCC)CCCC.
What is the InChIKey of N-[2-(dibutylamino)ethyl]dodecanamide?
The InChIKey is KAVRYSFAVDAORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O/c1-4-7-10-11-12-13-14-15-16-17-22(25)23-18-21-24(19-8-5-2)20-9-6-3/h4-21H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(dibutylamino)ethyl]dodecanamide?
N-[2-(dibutylamino)ethyl]dodecanamide has a molecular weight of 354.62 g/mol, XLogP of 5.93, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dibutylamino)ethyl]dodecanamide is sourced from PubChem (CID 23372327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).