2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide

C23H29N3O3 — CID 110601075

IUPAC2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-29-21-12-6-18(7-13-21)16-22(27)24-17-23(28)25-19-8-10-20(11-9-19)26-14-4-3-5-15-26/h6-13H,2-5,14-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyCGGWZCHVAGFVJU-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.37
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide

2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide (PubChem CID 110601075) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
PubChem CID110601075
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-29-21-12-6-18(7-13-21)16-22(27)24-17-23(28)25-19-8-10-20(11-9-19)26-14-4-3-5-15-26/h6-13H,2-5,14-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyCGGWZCHVAGFVJU-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110407244
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550286
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide (CID 110601075) is 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide is CCOc1ccc(CC(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide?
The InChIKey is CGGWZCHVAGFVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-21-12-6-18(7-13-21)16-22(27)24-17-23(28)25-19-8-10-20(11-9-19)26-14-4-3-5-15-26/h6-13H,2-5,14-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide is sourced from PubChem (CID 110601075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).