N-methyl-2-octadecylbutanediamide

C23H46N2O2 — CID 88809525

IUPACN-methyl-2-octadecylbutanediamide
SMILESCCCCCCCCCCCCCCCCCCC(CC(N)=O)C(=O)NC
InChIInChI=1S/C23H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(24)26)23(27)25-2/h21H,3-20H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyNWLJWDIVCAIJPY-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.88
Rot. Bonds20

About N-methyl-2-octadecylbutanediamide

N-methyl-2-octadecylbutanediamide (PubChem CID 88809525) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is N-methyl-2-octadecylbutanediamide.

Molecular Properties

Compound NameN-methyl-2-octadecylbutanediamide
PubChem CID88809525
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC NameN-methyl-2-octadecylbutanediamide
SMILESCCCCCCCCCCCCCCCCCCC(CC(N)=O)C(=O)NC
InChIInChI=1S/C23H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(24)26)23(27)25-2/h21H,3-20H2,1-2H3,(H2,24,26)(H,25,27)
InChIKeyNWLJWDIVCAIJPY-UHFFFAOYSA-N
XLogP5.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methyltetradecanamide
CID 161072731
2-ethyl-N-methylbutanediamide
CID 89267144
2-amino-N-methyltetradecanamide
CID 88912425
3-tetradecylheptadecanamide
CID 89491134
3-aminoundecanamide
CID 154005326
methyl 2-undecyltridecanoate
CID 176610383
2-dodecyl-N,N-dihexylbutanediamide
CID 139888194
2-triacont-19-enylbutanediamide
CID 155758594
2-hexyloctanamide
CID 87302701
2-dodecylnonadecanamide
CID 175503182
2-octyldecanamide
CID 19104479
2-octylbutanedihydrazide
CID 19764915

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-octadecylbutanediamide?
The IUPAC name of N-methyl-2-octadecylbutanediamide (CID 88809525) is N-methyl-2-octadecylbutanediamide.
What is the SMILES notation for N-methyl-2-octadecylbutanediamide?
The canonical SMILES for N-methyl-2-octadecylbutanediamide is CCCCCCCCCCCCCCCCCCC(CC(N)=O)C(=O)NC.
What is the InChIKey of N-methyl-2-octadecylbutanediamide?
The InChIKey is NWLJWDIVCAIJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(24)26)23(27)25-2/h21H,3-20H2,1-2H3,(H2,24,26)(H,25,27).
What are the key properties of N-methyl-2-octadecylbutanediamide?
N-methyl-2-octadecylbutanediamide has a molecular weight of 382.63 g/mol, XLogP of 5.88, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-octadecylbutanediamide is sourced from PubChem (CID 88809525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).