N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide

C33H62N2O5 — CID 170630579

IUPACN-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1CCC(CNC(=O)CCOCCOCCC(=O)CC)CC1
InChIInChI=1S/C33H62N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-33(38)35-30-20-18-29(19-21-30)28-34-32(37)23-25-40-27-26-39-24-22-31(36)4-2/h29-30H,3-28H2,1-2H3,(H,34,37)(H,35,38)
InChIKeyUENROCKKXIIIMV-UHFFFAOYSA-N
MW566.87 g/mol
LogP7.05
Rot. Bonds27

About N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide

N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide (PubChem CID 170630579) has the molecular formula C33H62N2O5 and a molecular weight of 566.87 g/mol. Its IUPAC name is N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide.

Molecular Properties

Compound NameN-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide
PubChem CID170630579
Molecular FormulaC33H62N2O5
Molecular Weight566.87 g/mol
Exact Mass566.47
IUPAC NameN-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1CCC(CNC(=O)CCOCCOCCC(=O)CC)CC1
InChIInChI=1S/C33H62N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-33(38)35-30-20-18-29(19-21-30)28-34-32(37)23-25-40-27-26-39-24-22-31(36)4-2/h29-30H,3-28H2,1-2H3,(H,34,37)(H,35,38)
InChIKeyUENROCKKXIIIMV-UHFFFAOYSA-N
XLogP7.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.87
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide 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-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
10-(cyclopropylamino)-10-oxodecanoic acid;8-(cyclopropylamino)-8-oxooctanoic acid;8-(cyclopropylmethylamino)-8-oxooctanoic acid;methyl 10-(cyclopropylamino)-10-oxodecanoate;methyl 8-(cyclopropylamino)-8-oxooctanoate;methyl 8-(cyclopropylmethylamino)-8-oxooctanoate
CID 158067661
1-hexoxypentan-3-one
CID 88538290
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
methyl 4-(hexanoylamino)cyclohexane-1-carboxylate
CID 112689997
ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
CID 169159604
N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide?
The IUPAC name of N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide (CID 170630579) is N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide.
What is the SMILES notation for N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide?
The canonical SMILES for N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC1CCC(CNC(=O)CCOCCOCCC(=O)CC)CC1.
What is the InChIKey of N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide?
The InChIKey is UENROCKKXIIIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-33(38)35-30-20-18-29(19-21-30)28-34-32(37)23-25-40-27-26-39-24-22-31(36)4-2/h29-30H,3-28H2,1-2H3,(H,34,37)(H,35,38).
What are the key properties of N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide?
N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide has a molecular weight of 566.87 g/mol, XLogP of 7.05, 27 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide is sourced from PubChem (CID 170630579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).