N-methyl-18-oxooctadecanamide

C19H37NO2 — CID 145081820

IUPACN-methyl-18-oxooctadecanamide
SMILESCNC(=O)CCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C19H37NO2/c1-20-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21/h18H,2-17H2,1H3,(H,20,22)
InChIKeyIFVNSVFDGOFISU-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.17
Rot. Bonds17

About N-methyl-18-oxooctadecanamide

N-methyl-18-oxooctadecanamide (PubChem CID 145081820) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is N-methyl-18-oxooctadecanamide.

Molecular Properties

Compound NameN-methyl-18-oxooctadecanamide
PubChem CID145081820
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC NameN-methyl-18-oxooctadecanamide
SMILESCNC(=O)CCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C19H37NO2/c1-20-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21/h18H,2-17H2,1H3,(H,20,22)
InChIKeyIFVNSVFDGOFISU-UHFFFAOYSA-N
XLogP5.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-18-oxooctadecanamide 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,N'-dimethylheptanediamide
CID 15166696
2-(methylamino)ethanol;N-methyl-6-oxohexanamide
CID 155596118
N-methoxy-9-oxononanamide
CID 144851599
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
N-methylheptacosanamide
CID 18175889
2-oxododecanedial
CID 175394430
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
methyl 10-oxodecanoate
CID 519005
methyl 13-oxotridecanoate
CID 10331995
N-methyl-N'-sulfanylnonanediamide
CID 143363504
N-methyl-11-(methylamino)undecanamide
CID 59809097

Frequently Asked Questions

What is the IUPAC name of N-methyl-18-oxooctadecanamide?
The IUPAC name of N-methyl-18-oxooctadecanamide (CID 145081820) is N-methyl-18-oxooctadecanamide.
What is the SMILES notation for N-methyl-18-oxooctadecanamide?
The canonical SMILES for N-methyl-18-oxooctadecanamide is CNC(=O)CCCCCCCCCCCCCCCCC=O.
What is the InChIKey of N-methyl-18-oxooctadecanamide?
The InChIKey is IFVNSVFDGOFISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-20-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21/h18H,2-17H2,1H3,(H,20,22).
What are the key properties of N-methyl-18-oxooctadecanamide?
N-methyl-18-oxooctadecanamide has a molecular weight of 311.51 g/mol, XLogP of 5.17, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-18-oxooctadecanamide is sourced from PubChem (CID 145081820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).