N-[4-(dimethylamino)butyl]docosanamide

C28H58N2O — CID 87265167

IUPACN-[4-(dimethylamino)butyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCN(C)C
InChIInChI=1S/C28H58N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)29-26-23-24-27-30(2)3/h4-27H2,1-3H3,(H,29,31)
InChIKeyCIEYEEBDHLAGQK-UHFFFAOYSA-N
MW438.79 g/mol
LogP8.27
Rot. Bonds25

About N-[4-(dimethylamino)butyl]docosanamide

N-[4-(dimethylamino)butyl]docosanamide (PubChem CID 87265167) has the molecular formula C28H58N2O and a molecular weight of 438.79 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]docosanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]docosanamide
PubChem CID87265167
Molecular FormulaC28H58N2O
Molecular Weight438.79 g/mol
Exact Mass438.45
IUPAC NameN-[4-(dimethylamino)butyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCN(C)C
InChIInChI=1S/C28H58N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)29-26-23-24-27-30(2)3/h4-27H2,1-3H3,(H,29,31)
InChIKeyCIEYEEBDHLAGQK-UHFFFAOYSA-N
XLogP8.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.79
LogP ≤ 58.27
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

6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
N-[4-(dimethylamino)butyl]-6-hexadecyldocos-5-enamide
CID 54673550
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-hexadecylhexanamide
CID 4953738
N-pentylicosanamide
CID 139961886
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]docosanamide?
The IUPAC name of N-[4-(dimethylamino)butyl]docosanamide (CID 87265167) is N-[4-(dimethylamino)butyl]docosanamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]docosanamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCN(C)C.
What is the InChIKey of N-[4-(dimethylamino)butyl]docosanamide?
The InChIKey is CIEYEEBDHLAGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)29-26-23-24-27-30(2)3/h4-27H2,1-3H3,(H,29,31).
What are the key properties of N-[4-(dimethylamino)butyl]docosanamide?
N-[4-(dimethylamino)butyl]docosanamide has a molecular weight of 438.79 g/mol, XLogP of 8.27, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]docosanamide is sourced from PubChem (CID 87265167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).