N-[3-(dimethylamino)propanoyl]octadecanamide

C23H46N2O2 — CID 88681823

IUPACN-[3-(dimethylamino)propanoyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(=O)CCN(C)C
InChIInChI=1S/C23H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-23(27)20-21-25(2)3/h4-21H2,1-3H3,(H,24,26,27)
InChIKeyIWGWYKYBBYRSQF-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.84
Rot. Bonds19

About N-[3-(dimethylamino)propanoyl]octadecanamide

N-[3-(dimethylamino)propanoyl]octadecanamide (PubChem CID 88681823) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is N-[3-(dimethylamino)propanoyl]octadecanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propanoyl]octadecanamide
PubChem CID88681823
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC NameN-[3-(dimethylamino)propanoyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(=O)CCN(C)C
InChIInChI=1S/C23H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-23(27)20-21-25(2)3/h4-21H2,1-3H3,(H,24,26,27)
InChIKeyIWGWYKYBBYRSQF-UHFFFAOYSA-N
XLogP5.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decanoyldecanamide
CID 87914075
N-octanoyloctanamide;hydrobromide
CID 175059894
N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide
CID 54791242
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
1-(dimethylamino)nonan-3-one
CID 115345762
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
1-(dimethylamino)nonadecan-3-one;hydrochloride
CID 160791865
N-acetylundecanamide
CID 18949728
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-hexadecanoylhexadecanamide;2-(propylamino)ethanol
CID 175405051
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propanoyl]octadecanamide?
The IUPAC name of N-[3-(dimethylamino)propanoyl]octadecanamide (CID 88681823) is N-[3-(dimethylamino)propanoyl]octadecanamide.
What is the SMILES notation for N-[3-(dimethylamino)propanoyl]octadecanamide?
The canonical SMILES for N-[3-(dimethylamino)propanoyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(=O)CCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propanoyl]octadecanamide?
The InChIKey is IWGWYKYBBYRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-23(27)20-21-25(2)3/h4-21H2,1-3H3,(H,24,26,27).
What are the key properties of N-[3-(dimethylamino)propanoyl]octadecanamide?
N-[3-(dimethylamino)propanoyl]octadecanamide has a molecular weight of 382.63 g/mol, XLogP of 5.84, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propanoyl]octadecanamide is sourced from PubChem (CID 88681823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).