2-(dimethylamino)-N-octadecylpropanamide

C23H48N2O — CID 161206779

IUPAC2-(dimethylamino)-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(C)N(C)C
InChIInChI=1S/C23H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(26)22(2)25(3)4/h22H,5-21H2,1-4H3,(H,24,26)
InChIKeyUVRXNHXEFPHYQV-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.31
Rot. Bonds19

About 2-(dimethylamino)-N-octadecylpropanamide

2-(dimethylamino)-N-octadecylpropanamide (PubChem CID 161206779) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is 2-(dimethylamino)-N-octadecylpropanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-octadecylpropanamide
PubChem CID161206779
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC Name2-(dimethylamino)-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(C)N(C)C
InChIInChI=1S/C23H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(26)22(2)25(3)4/h22H,5-21H2,1-4H3,(H,24,26)
InChIKeyUVRXNHXEFPHYQV-UHFFFAOYSA-N
XLogP6.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.31
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

(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
2-methyl-N-nonyldecanamide
CID 141429494
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
N-octadecyl-2-octylicosanamide
CID 154636535
3-[2-(dimethylamino)propanoylamino]propanoic acid
CID 126638716
2-(dimethylamino)docosan-3-one
CID 174986692
N,N'-diheptyloxamide
CID 3417538
2-amino-3-hydroxy-N-octylbutanamide
CID 90110768
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-octadecylpropanamide?
The IUPAC name of 2-(dimethylamino)-N-octadecylpropanamide (CID 161206779) is 2-(dimethylamino)-N-octadecylpropanamide.
What is the SMILES notation for 2-(dimethylamino)-N-octadecylpropanamide?
The canonical SMILES for 2-(dimethylamino)-N-octadecylpropanamide is CCCCCCCCCCCCCCCCCCNC(=O)C(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-octadecylpropanamide?
The InChIKey is UVRXNHXEFPHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(26)22(2)25(3)4/h22H,5-21H2,1-4H3,(H,24,26).
What are the key properties of 2-(dimethylamino)-N-octadecylpropanamide?
2-(dimethylamino)-N-octadecylpropanamide has a molecular weight of 368.65 g/mol, XLogP of 6.31, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-octadecylpropanamide is sourced from PubChem (CID 161206779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).