N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide

C24H27FN2O5 — CID 175393416

IUPACN-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide
SMILESCOc1cc(C(=O)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C24H27FN2O5/c1-15-12-17(25)9-10-19(15)27-22(28)14-32-20-11-8-16(13-21(20)31-2)23(29)24(30)26-18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyVCGDUAZSVQHPNO-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.79
Rot. Bonds8

About N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide

N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide (PubChem CID 175393416) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide
PubChem CID175393416
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC NameN-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide
SMILESCOc1cc(C(=O)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C24H27FN2O5/c1-15-12-17(25)9-10-19(15)27-22(28)14-32-20-11-8-16(13-21(20)31-2)23(29)24(30)26-18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyVCGDUAZSVQHPNO-UHFFFAOYSA-N
XLogP3.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[4-[2-(2,4-difluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide
CID 175393389
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 42969107
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide
CID 60608438
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide?
The IUPAC name of N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide (CID 175393416) is N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide is COc1cc(C(=O)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1C.
What is the InChIKey of N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide?
The InChIKey is VCGDUAZSVQHPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-15-12-17(25)9-10-19(15)27-22(28)14-32-20-11-8-16(13-21(20)31-2)23(29)24(30)26-18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide?
N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide has a molecular weight of 442.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[2-(4-fluoro-2-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-oxoacetamide is sourced from PubChem (CID 175393416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).