azane;N-[1-(dimethylamino)propyl]octadecanamide

C23H51N3O — CID 175326640

IUPACazane;N-[1-(dimethylamino)propyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(C)C.N
InChIInChI=1S/C23H48N2O.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-22(6-2)25(3)4;/h22H,5-21H2,1-4H3,(H,24,26);1H3
InChIKeyWOWWPJMQXSFATI-UHFFFAOYSA-N
MW385.68 g/mol
LogP6.82
Rot. Bonds19

About azane;N-[1-(dimethylamino)propyl]octadecanamide

azane;N-[1-(dimethylamino)propyl]octadecanamide (PubChem CID 175326640) has the molecular formula C23H51N3O and a molecular weight of 385.68 g/mol. Its IUPAC name is azane;N-[1-(dimethylamino)propyl]octadecanamide.

Molecular Properties

Compound Nameazane;N-[1-(dimethylamino)propyl]octadecanamide
PubChem CID175326640
Molecular FormulaC23H51N3O
Molecular Weight385.68 g/mol
Exact Mass385.40
IUPAC Nameazane;N-[1-(dimethylamino)propyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(C)C.N
InChIInChI=1S/C23H48N2O.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-22(6-2)25(3)4;/h22H,5-21H2,1-4H3,(H,24,26);1H3
InChIKeyWOWWPJMQXSFATI-UHFFFAOYSA-N
XLogP6.82
TPSA67.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 23169646
(Z)-N-[1-(dimethylamino)propyl]octadec-9-enamide;propanoic acid
CID 87105651
N-[1-[hydroxy(propyl)amino]propyl]docosanamide
CID 175405068
N-pentan-3-yldocosanamide
CID 123339332
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
CID 175605896
N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide
CID 87487925
N-[1-(methylamino)propyl]docosanamide
CID 87067975
N-butan-2-ylhexacosanamide
CID 163047877
N-(1-hydroxybutyl)decanamide
CID 87762139
N-butan-2-ylnonanamide
CID 4188803

Frequently Asked Questions

What is the IUPAC name of azane;N-[1-(dimethylamino)propyl]octadecanamide?
The IUPAC name of azane;N-[1-(dimethylamino)propyl]octadecanamide (CID 175326640) is azane;N-[1-(dimethylamino)propyl]octadecanamide.
What is the SMILES notation for azane;N-[1-(dimethylamino)propyl]octadecanamide?
The canonical SMILES for azane;N-[1-(dimethylamino)propyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(CC)N(C)C.N.
What is the InChIKey of azane;N-[1-(dimethylamino)propyl]octadecanamide?
The InChIKey is WOWWPJMQXSFATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O.H3N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-22(6-2)25(3)4;/h22H,5-21H2,1-4H3,(H,24,26);1H3.
What are the key properties of azane;N-[1-(dimethylamino)propyl]octadecanamide?
azane;N-[1-(dimethylamino)propyl]octadecanamide has a molecular weight of 385.68 g/mol, XLogP of 6.82, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-[1-(dimethylamino)propyl]octadecanamide is sourced from PubChem (CID 175326640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).