N-[3-(dibutylamino)propyl]-N-octadecylpropanamide

C32H66N2O — CID 146463655

IUPACN-[3-(dibutylamino)propyl]-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCN(CCCC)CCCC)C(=O)CC
InChIInChI=1S/C32H66N2O/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-34(32(35)8-4)31-26-29-33(27-10-6-2)28-11-7-3/h5-31H2,1-4H3
InChIKeyJXBSDPYVTBPYKZ-UHFFFAOYSA-N
MW494.89 g/mol
LogP9.78
Rot. Bonds28

About N-[3-(dibutylamino)propyl]-N-octadecylpropanamide

N-[3-(dibutylamino)propyl]-N-octadecylpropanamide (PubChem CID 146463655) has the molecular formula C32H66N2O and a molecular weight of 494.89 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]-N-octadecylpropanamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]-N-octadecylpropanamide
PubChem CID146463655
Molecular FormulaC32H66N2O
Molecular Weight494.89 g/mol
Exact Mass494.52
IUPAC NameN-[3-(dibutylamino)propyl]-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCN(CCCC)CCCC)C(=O)CC
InChIInChI=1S/C32H66N2O/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-34(32(35)8-4)31-26-29-33(27-10-6-2)28-11-7-3/h5-31H2,1-4H3
InChIKeyJXBSDPYVTBPYKZ-UHFFFAOYSA-N
XLogP9.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.89
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-butylpropanamide;ethane
CID 142121594
N-butyl-N-[5-(butylamino)pentyl]propanamide
CID 142121020
N-butyl-N-octyldecanamide
CID 18913402
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N-butyl-N-(2-chloroethyl)propanamide
CID 63390792
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-[5-(diethylamino)pentyl]butanamide
CID 89364821

Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)propyl]-N-octadecylpropanamide?
The IUPAC name of N-[3-(dibutylamino)propyl]-N-octadecylpropanamide (CID 146463655) is N-[3-(dibutylamino)propyl]-N-octadecylpropanamide.
What is the SMILES notation for N-[3-(dibutylamino)propyl]-N-octadecylpropanamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]-N-octadecylpropanamide is CCCCCCCCCCCCCCCCCCN(CCCN(CCCC)CCCC)C(=O)CC.
What is the InChIKey of N-[3-(dibutylamino)propyl]-N-octadecylpropanamide?
The InChIKey is JXBSDPYVTBPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66N2O/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-34(32(35)8-4)31-26-29-33(27-10-6-2)28-11-7-3/h5-31H2,1-4H3.
What are the key properties of N-[3-(dibutylamino)propyl]-N-octadecylpropanamide?
N-[3-(dibutylamino)propyl]-N-octadecylpropanamide has a molecular weight of 494.89 g/mol, XLogP of 9.78, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]-N-octadecylpropanamide is sourced from PubChem (CID 146463655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).