N-[1-(methylamino)propyl]docosanamide

C26H54N2O — CID 87067975

IUPACN-[1-(methylamino)propyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)NC
InChIInChI=1S/C26H54N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28-25(5-2)27-3/h25,27H,4-24H2,1-3H3,(H,28,29)
InChIKeyZZIVXYGFSSFBAW-UHFFFAOYSA-N
MW410.73 g/mol
LogP7.88
Rot. Bonds23

About N-[1-(methylamino)propyl]docosanamide

N-[1-(methylamino)propyl]docosanamide (PubChem CID 87067975) has the molecular formula C26H54N2O and a molecular weight of 410.73 g/mol. Its IUPAC name is N-[1-(methylamino)propyl]docosanamide.

Molecular Properties

Compound NameN-[1-(methylamino)propyl]docosanamide
PubChem CID87067975
Molecular FormulaC26H54N2O
Molecular Weight410.73 g/mol
Exact Mass410.42
IUPAC NameN-[1-(methylamino)propyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)NC
InChIInChI=1S/C26H54N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28-25(5-2)27-3/h25,27H,4-24H2,1-3H3,(H,28,29)
InChIKeyZZIVXYGFSSFBAW-UHFFFAOYSA-N
XLogP7.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(octanoylamino)propyl]octanamide
CID 175099053
N-pentan-3-yldocosanamide
CID 123339332
16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
azane;N-[1-(dimethylamino)propyl]octadecanamide
CID 175326640
N-[2-(dimethylamino)-1-(octadecanoylamino)ethyl]octadecanamide;hydrochloride
CID 173388520
N-[1-(ethylamino)butyl]dodecanamide
CID 87831104
N-pentan-2-ylundecanamide
CID 173258559
1-(hexadecanoylamino)propane-1-sulfonic acid
CID 156636169
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)propyl]docosanamide?
The IUPAC name of N-[1-(methylamino)propyl]docosanamide (CID 87067975) is N-[1-(methylamino)propyl]docosanamide.
What is the SMILES notation for N-[1-(methylamino)propyl]docosanamide?
The canonical SMILES for N-[1-(methylamino)propyl]docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)NC.
What is the InChIKey of N-[1-(methylamino)propyl]docosanamide?
The InChIKey is ZZIVXYGFSSFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28-25(5-2)27-3/h25,27H,4-24H2,1-3H3,(H,28,29).
What are the key properties of N-[1-(methylamino)propyl]docosanamide?
N-[1-(methylamino)propyl]docosanamide has a molecular weight of 410.73 g/mol, XLogP of 7.88, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)propyl]docosanamide is sourced from PubChem (CID 87067975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).