3-[butyl(methyl)amino]-N-pentadecylpropanamide

C23H48N2O — CID 58040616

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

About 3-[butyl(methyl)amino]-N-pentadecylpropanamide

3-[butyl(methyl)amino]-N-pentadecylpropanamide (PubChem CID 58040616) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-pentadecylpropanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-pentadecylpropanamide
PubChem CID58040616
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC Name3-[butyl(methyl)amino]-N-pentadecylpropanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCN(C)CCCC
InChIInChI=1S/C23H48N2O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-24-23(26)19-22-25(3)21-7-5-2/h4-22H2,1-3H3,(H,24,26)
InChIKeyXXEPGIWBVUABDF-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-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
CID 108795355
3-[butyl(methyl)amino]-N-propylpropanamide
CID 108795247
3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide
CID 58105615
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917
N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide
CID 170086567
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
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-[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
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-pentadecylpropanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-pentadecylpropanamide (CID 58040616) is 3-[butyl(methyl)amino]-N-pentadecylpropanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-pentadecylpropanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-pentadecylpropanamide is CCCCCCCCCCCCCCCNC(=O)CCN(C)CCCC.
What is the InChIKey of 3-[butyl(methyl)amino]-N-pentadecylpropanamide?
The InChIKey is XXEPGIWBVUABDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-24-23(26)19-22-25(3)21-7-5-2/h4-22H2,1-3H3,(H,24,26).
What are the key properties of 3-[butyl(methyl)amino]-N-pentadecylpropanamide?
3-[butyl(methyl)amino]-N-pentadecylpropanamide 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-[butyl(methyl)amino]-N-pentadecylpropanamide is sourced from PubChem (CID 58040616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).