N-butyl-N-octadecylformamide

C23H47NO — CID 54030417

IUPACN-butyl-N-octadecylformamide
SMILESCCCCCCCCCCCCCCCCCCN(C=O)CCCC
InChIInChI=1S/C23H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(23-25)21-6-4-2/h23H,3-22H2,1-2H3
InChIKeyGPSNJSDFFLHPEV-UHFFFAOYSA-N
MW353.64 g/mol
LogP7.51
Rot. Bonds21

About N-butyl-N-octadecylformamide

N-butyl-N-octadecylformamide (PubChem CID 54030417) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is N-butyl-N-octadecylformamide.

Molecular Properties

Compound NameN-butyl-N-octadecylformamide
PubChem CID54030417
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC NameN-butyl-N-octadecylformamide
SMILESCCCCCCCCCCCCCCCCCCN(C=O)CCCC
InChIInChI=1S/C23H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(23-25)21-6-4-2/h23H,3-22H2,1-2H3
InChIKeyGPSNJSDFFLHPEV-UHFFFAOYSA-N
XLogP7.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-N-octadecylformamide 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-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N-ethyl-N-hexylformamide
CID 54565973
2-[butyl(formyl)amino]ethylmercury
CID 142121724
N-decyl-N-(2-methylpropyl)formamide
CID 12622742
N-butyl-N-[2-(methylamino)ethyl]formamide
CID 23084470
N,N-dimethylformamide;dodecane
CID 174900991
N-methyl-N-tetradecylformamide
CID 10422507
(E)-3-(dioctylamino)prop-2-enal
CID 134949607
disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate
CID 175796205
N-butyl-N-ethenylpentan-1-amine
CID 154960223
N-methyl-N-pentylformamide
CID 22754748

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-octadecylformamide?
The IUPAC name of N-butyl-N-octadecylformamide (CID 54030417) is N-butyl-N-octadecylformamide.
What is the SMILES notation for N-butyl-N-octadecylformamide?
The canonical SMILES for N-butyl-N-octadecylformamide is CCCCCCCCCCCCCCCCCCN(C=O)CCCC.
What is the InChIKey of N-butyl-N-octadecylformamide?
The InChIKey is GPSNJSDFFLHPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(23-25)21-6-4-2/h23H,3-22H2,1-2H3.
What are the key properties of N-butyl-N-octadecylformamide?
N-butyl-N-octadecylformamide has a molecular weight of 353.64 g/mol, XLogP of 7.51, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-octadecylformamide is sourced from PubChem (CID 54030417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).