18-(dimethylamino)-N-propyloctadecanamide

C23H48N2O — CID 87286031

IUPAC18-(dimethylamino)-N-propyloctadecanamide
SMILESCCCNC(=O)CCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C23H48N2O/c1-4-21-24-23(26)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26)
InChIKeyXKAMSAODDYNQFU-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.32
Rot. Bonds20

About 18-(dimethylamino)-N-propyloctadecanamide

18-(dimethylamino)-N-propyloctadecanamide (PubChem CID 87286031) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is 18-(dimethylamino)-N-propyloctadecanamide.

Molecular Properties

Compound Name18-(dimethylamino)-N-propyloctadecanamide
PubChem CID87286031
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC Name18-(dimethylamino)-N-propyloctadecanamide
SMILESCCCNC(=O)CCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C23H48N2O/c1-4-21-24-23(26)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26)
InChIKeyXKAMSAODDYNQFU-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'}

Analyze 18-(dimethylamino)-N-propyloctadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N,N'-dipropyldecanediamide
CID 102239298
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
ethane;N-propylheptanamide
CID 145289188
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-(dimethylamino)propyl]octadecanamide;nitric acid
CID 71346654
N-[4-(dimethylamino)butyl]-6-hexadecyldocos-5-enamide
CID 54673550

Frequently Asked Questions

What is the IUPAC name of 18-(dimethylamino)-N-propyloctadecanamide?
The IUPAC name of 18-(dimethylamino)-N-propyloctadecanamide (CID 87286031) is 18-(dimethylamino)-N-propyloctadecanamide.
What is the SMILES notation for 18-(dimethylamino)-N-propyloctadecanamide?
The canonical SMILES for 18-(dimethylamino)-N-propyloctadecanamide is CCCNC(=O)CCCCCCCCCCCCCCCCCN(C)C.
What is the InChIKey of 18-(dimethylamino)-N-propyloctadecanamide?
The InChIKey is XKAMSAODDYNQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-4-21-24-23(26)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26).
What are the key properties of 18-(dimethylamino)-N-propyloctadecanamide?
18-(dimethylamino)-N-propyloctadecanamide 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 18-(dimethylamino)-N-propyloctadecanamide is sourced from PubChem (CID 87286031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).