N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide

C24H31N3O3 — CID 86906090

IUPACN-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(CC(=O)N1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O3/c1-3-30-22-10-6-5-9-21(22)25-23(28)17-27(20-13-11-19(2)12-14-20)18-24(29)26-15-7-4-8-16-26/h5-6,9-14H,3-4,7-8,15-18H2,1-2H3,(H,25,28)
InChIKeyHFQCLJBPMZINJT-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.85
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide

N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide (PubChem CID 86906090) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
PubChem CID86906090
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(CC(=O)N1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O3/c1-3-30-22-10-6-5-9-21(22)25-23(28)17-27(20-13-11-19(2)12-14-20)18-24(29)26-15-7-4-8-16-26/h5-6,9-14H,3-4,7-8,15-18H2,1-2H3,(H,25,28)
InChIKeyHFQCLJBPMZINJT-UHFFFAOYSA-N
XLogP3.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095185
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 86906158
N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 94291772
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
CID 86937011
N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394171

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide (CID 86906090) is N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide is CCOc1ccccc1NC(=O)CN(CC(=O)N1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide?
The InChIKey is HFQCLJBPMZINJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-30-22-10-6-5-9-21(22)25-23(28)17-27(20-13-11-19(2)12-14-20)18-24(29)26-15-7-4-8-16-26/h5-6,9-14H,3-4,7-8,15-18H2,1-2H3,(H,25,28).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide?
N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide is sourced from PubChem (CID 86906090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).