N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide

C34H65N3O2 — CID 21266146

IUPACN-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)C1CC=CCC1CNCCCN1CCOCC1
InChIInChI=1S/C34H65N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36(2)34(38)33-23-19-18-22-32(33)31-35-24-21-26-37-27-29-39-30-28-37/h18-19,32-33,35H,3-17,20-31H2,1-2H3
InChIKeyQGGYDDYPDCOIAX-UHFFFAOYSA-N
MW547.91 g/mol
LogP7.60
Rot. Bonds24

About N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide

N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide (PubChem CID 21266146) has the molecular formula C34H65N3O2 and a molecular weight of 547.91 g/mol. Its IUPAC name is N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide
PubChem CID21266146
Molecular FormulaC34H65N3O2
Molecular Weight547.91 g/mol
Exact Mass547.51
IUPAC NameN-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)C1CC=CCC1CNCCCN1CCOCC1
InChIInChI=1S/C34H65N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36(2)34(38)33-23-19-18-22-32(33)31-35-24-21-26-37-27-29-39-30-28-37/h18-19,32-33,35H,3-17,20-31H2,1-2H3
InChIKeyQGGYDDYPDCOIAX-UHFFFAOYSA-N
XLogP7.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.91
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide 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-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994800
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
4-hexylmorpholine
CID 3614751
N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053079
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
4-butylmorpholine;N,N-dimethylformamide
CID 178173228
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide
CID 23299397
[2-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]methanol
CID 83960077
N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide
CID 146999012
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide (CID 21266146) is N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide is CCCCCCCCCCCCCCCCCCN(C)C(=O)C1CC=CCC1CNCCCN1CCOCC1.
What is the InChIKey of N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide?
The InChIKey is QGGYDDYPDCOIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H65N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-36(2)34(38)33-23-19-18-22-32(33)31-35-24-21-26-37-27-29-39-30-28-37/h18-19,32-33,35H,3-17,20-31H2,1-2H3.
What are the key properties of N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide?
N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide has a molecular weight of 547.91 g/mol, XLogP of 7.60, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 21266146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).