4-(dimethylamino)-N-octadecylbutanamide

C24H50N2O — CID 126689670

IUPAC4-(dimethylamino)-N-octadecylbutanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCCN(C)C
InChIInChI=1S/C24H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24(27)21-20-23-26(2)3/h4-23H2,1-3H3,(H,25,27)
InChIKeyLPFSEHZKKRGQEJ-UHFFFAOYSA-N
MW382.68 g/mol
LogP6.71
Rot. Bonds21

About 4-(dimethylamino)-N-octadecylbutanamide

4-(dimethylamino)-N-octadecylbutanamide (PubChem CID 126689670) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is 4-(dimethylamino)-N-octadecylbutanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-octadecylbutanamide
PubChem CID126689670
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Name4-(dimethylamino)-N-octadecylbutanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCCN(C)C
InChIInChI=1S/C24H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24(27)21-20-23-26(2)3/h4-23H2,1-3H3,(H,25,27)
InChIKeyLPFSEHZKKRGQEJ-UHFFFAOYSA-N
XLogP6.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.71
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-[4-(dimethylamino)butyl]docosanamide
CID 87265167
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
CID 23187588
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-nonyltridecanamide
CID 154228217
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-octadecylbutanamide?
The IUPAC name of 4-(dimethylamino)-N-octadecylbutanamide (CID 126689670) is 4-(dimethylamino)-N-octadecylbutanamide.
What is the SMILES notation for 4-(dimethylamino)-N-octadecylbutanamide?
The canonical SMILES for 4-(dimethylamino)-N-octadecylbutanamide is CCCCCCCCCCCCCCCCCCNC(=O)CCCN(C)C.
What is the InChIKey of 4-(dimethylamino)-N-octadecylbutanamide?
The InChIKey is LPFSEHZKKRGQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24(27)21-20-23-26(2)3/h4-23H2,1-3H3,(H,25,27).
What are the key properties of 4-(dimethylamino)-N-octadecylbutanamide?
4-(dimethylamino)-N-octadecylbutanamide has a molecular weight of 382.68 g/mol, XLogP of 6.71, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-octadecylbutanamide is sourced from PubChem (CID 126689670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).