N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide

C34H40N2O4 — CID 102017753

IUPACN-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccccc1OCC(=O)N(c1ccccc1)C1CCCCC1)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C34H40N2O4/c37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1,3,5-6,9-10,13-16,19-20,23-24,28,30H,2,4,7-8,11-12,17-18,21-22,25-26H2
InChIKeyDIGIDIRQICCAOW-UHFFFAOYSA-N
MW540.70 g/mol
LogP7.18
Rot. Bonds10

About N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide

N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide (PubChem CID 102017753) has the molecular formula C34H40N2O4 and a molecular weight of 540.70 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
PubChem CID102017753
Molecular FormulaC34H40N2O4
Molecular Weight540.70 g/mol
Exact Mass540.30
IUPAC NameN-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccccc1OCC(=O)N(c1ccccc1)C1CCCCC1)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C34H40N2O4/c37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1,3,5-6,9-10,13-16,19-20,23-24,28,30H,2,4,7-8,11-12,17-18,21-22,25-26H2
InChIKeyDIGIDIRQICCAOW-UHFFFAOYSA-N
XLogP7.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.70
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide 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-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
CID 7717735
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
[2-(N-cyclohexylanilino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187028
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695229
[2-(N-cyclohexylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873389
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902946

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide (CID 102017753) is N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide is O=C(COc1ccccc1OCC(=O)N(c1ccccc1)C1CCCCC1)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide?
The InChIKey is DIGIDIRQICCAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O4/c37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1,3,5-6,9-10,13-16,19-20,23-24,28,30H,2,4,7-8,11-12,17-18,21-22,25-26H2.
What are the key properties of N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide?
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide has a molecular weight of 540.70 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 102017753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).