N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide

C35H62N2O3 — CID 23299397

IUPACN-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccccc1COCCCCN1CCOCC1
InChIInChI=1S/C35H62N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36(2)35(38)34-24-19-18-23-33(34)32-40-29-22-21-26-37-27-30-39-31-28-37/h18-19,23-24H,3-17,20-22,25-32H2,1-2H3
InChIKeyDOOSSGHTLVXKQJ-UHFFFAOYSA-N
MW558.89 g/mol
LogP8.65
Rot. Bonds25

About N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide

N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide (PubChem CID 23299397) has the molecular formula C35H62N2O3 and a molecular weight of 558.89 g/mol. Its IUPAC name is N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide.

Molecular Properties

Compound NameN-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide
PubChem CID23299397
Molecular FormulaC35H62N2O3
Molecular Weight558.89 g/mol
Exact Mass558.48
IUPAC NameN-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccccc1COCCCCN1CCOCC1
InChIInChI=1S/C35H62N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36(2)35(38)34-24-19-18-23-33(34)32-40-29-22-21-26-37-27-30-39-31-28-37/h18-19,23-24H,3-17,20-22,25-32H2,1-2H3
InChIKeyDOOSSGHTLVXKQJ-UHFFFAOYSA-N
XLogP8.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.89
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide?
The IUPAC name of N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide (CID 23299397) is N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide.
What is the SMILES notation for N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide?
The canonical SMILES for N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide is CCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccccc1COCCCCN1CCOCC1.
What is the InChIKey of N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide?
The InChIKey is DOOSSGHTLVXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36(2)35(38)34-24-19-18-23-33(34)32-40-29-22-21-26-37-27-30-39-31-28-37/h18-19,23-24H,3-17,20-22,25-32H2,1-2H3.
What are the key properties of N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide?
N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide has a molecular weight of 558.89 g/mol, XLogP of 8.65, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide is sourced from PubChem (CID 23299397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).