2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide

C23H29N3O3 — CID 24583313

IUPAC2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H29N3O3/c1-17(27)25-18-13-14-22(29-2)21(15-18)24-16-23(28)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20,24H,4,7-8,11-12,16H2,1-2H3,(H,25,27)
InChIKeyKMBXLVBWFAUIEY-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.43
Rot. Bonds7

About 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide

2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide (PubChem CID 24583313) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide
PubChem CID24583313
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H29N3O3/c1-17(27)25-18-13-14-22(29-2)21(15-18)24-16-23(28)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20,24H,4,7-8,11-12,16H2,1-2H3,(H,25,27)
InChIKeyKMBXLVBWFAUIEY-UHFFFAOYSA-N
XLogP4.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide
CID 55437224
2-(5-acetamido-2-methoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520987
N-cyclohexyl-N-ethyl-2-(2-methoxyanilino)acetamide
CID 78782325
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-nitroanilino)-N-phenylacetamide
CID 45354865
N-[3-[cyclohexyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17402561
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
2-(4-chloro-2-methoxy-5-methylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 39975418
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide
CID 55893747
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31673267
2-(5-acetamido-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965842

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide (CID 24583313) is 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide is COc1ccc(NC(C)=O)cc1NCC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide?
The InChIKey is KMBXLVBWFAUIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(27)25-18-13-14-22(29-2)21(15-18)24-16-23(28)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20,24H,4,7-8,11-12,16H2,1-2H3,(H,25,27).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide?
2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide has a molecular weight of 395.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide is sourced from PubChem (CID 24583313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).