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

C23H27ClN2O5 — CID 121260490

IUPACN-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H27ClN2O5/c1-29-19-10-12-21(13-11-19)31-15-23(28)26-18-6-4-17(5-7-18)25-22(27)14-30-20-8-2-16(24)3-9-20/h2-3,8-13,17-18H,4-7,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyCQRFKOFNDQKECS-UHFFFAOYSA-N
MW446.93 g/mol
LogP3.35
Rot. Bonds9

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

N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 121260490) has the molecular formula C23H27ClN2O5 and a molecular weight of 446.93 g/mol. Its IUPAC name is N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID121260490
Molecular FormulaC23H27ClN2O5
Molecular Weight446.93 g/mol
Exact Mass446.16
IUPAC NameN-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H27ClN2O5/c1-29-19-10-12-21(13-11-19)31-15-23(28)26-18-6-4-17(5-7-18)25-22(27)14-30-20-8-2-16(24)3-9-20/h2-3,8-13,17-18H,4-7,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyCQRFKOFNDQKECS-UHFFFAOYSA-N
XLogP3.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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-ethynylphenoxy)acetamide
CID 90446748
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
[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
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-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide (CID 121260490) is N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(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-methoxyphenoxy)acetamide?
The InChIKey is CQRFKOFNDQKECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5/c1-29-19-10-12-21(13-11-19)31-15-23(28)26-18-6-4-17(5-7-18)25-22(27)14-30-20-8-2-16(24)3-9-20/h2-3,8-13,17-18H,4-7,14-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide?
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 446.93 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 121260490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).