N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide

C24H25ClN2O4 — CID 90446748

IUPACN-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
SMILESC#Cc1ccc(OCC(=O)NC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H25ClN2O4/c1-2-17-3-11-21(12-4-17)30-15-23(28)26-19-7-9-20(10-8-19)27-24(29)16-31-22-13-5-18(25)6-14-22/h1,3-6,11-14,19-20H,7-10,15-16H2,(H,26,28)(H,27,29)
InChIKeyNOCUICMZMXVUMN-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.32
Rot. Bonds8

About N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide

N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide (PubChem CID 90446748) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
PubChem CID90446748
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC NameN-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
SMILESC#Cc1ccc(OCC(=O)NC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H25ClN2O4/c1-2-17-3-11-21(12-4-17)30-15-23(28)26-19-7-9-20(10-8-19)27-24(29)16-31-22-13-5-18(25)6-14-22/h1,3-6,11-14,19-20H,7-10,15-16H2,(H,26,28)(H,27,29)
InChIKeyNOCUICMZMXVUMN-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide
CID 155618732
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63627311
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053233
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide?
The IUPAC name of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide (CID 90446748) is N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide.
What is the SMILES notation for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide?
The canonical SMILES for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide is C#Cc1ccc(OCC(=O)NC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide?
The InChIKey is NOCUICMZMXVUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4/c1-2-17-3-11-21(12-4-17)30-15-23(28)26-19-7-9-20(10-8-19)27-24(29)16-31-22-13-5-18(25)6-14-22/h1,3-6,11-14,19-20H,7-10,15-16H2,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide?
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide has a molecular weight of 440.93 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide is sourced from PubChem (CID 90446748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).