N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride

C23H49ClN2O — CID 3019212

IUPACN-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.Cl
InChIInChI=1S/C23H48N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;/h4-22H2,1-3H3,(H,24,26);1H
InChIKeyLVXUNJWLKCUTNF-UHFFFAOYSA-N
MW405.11 g/mol
LogP6.74
Rot. Bonds20

About N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride

N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride (PubChem CID 3019212) has the molecular formula C23H49ClN2O and a molecular weight of 405.11 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
PubChem CID3019212
Molecular FormulaC23H49ClN2O
Molecular Weight405.11 g/mol
Exact Mass404.35
IUPAC NameN-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.Cl
InChIInChI=1S/C23H48N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;/h4-22H2,1-3H3,(H,24,26);1H
InChIKeyLVXUNJWLKCUTNF-UHFFFAOYSA-N
XLogP6.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.11
LogP ≤ 56.74
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-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
N-[3-(dimethylamino)propyl]octadecanamide;nitric acid
CID 71346654
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
CID 140756261
CID 140756261
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride (CID 3019212) is N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride is CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride?
The InChIKey is LVXUNJWLKCUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;/h4-22H2,1-3H3,(H,24,26);1H.
What are the key properties of N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride?
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride has a molecular weight of 405.11 g/mol, XLogP of 6.74, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride is sourced from PubChem (CID 3019212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).