N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide

C24H25N3O3 — CID 2529661

IUPACN-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C24H25N3O3/c1-27(16-23(28)25-19-11-8-12-20(15-19)30-2)17-24(29)26-22-14-7-6-13-21(22)18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDBXXUXQUEUCCQQ-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.87
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide (PubChem CID 2529661) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
PubChem CID2529661
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C24H25N3O3/c1-27(16-23(28)25-19-11-8-12-20(15-19)30-2)17-24(29)26-22-14-7-6-13-21(22)18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDBXXUXQUEUCCQQ-UHFFFAOYSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide (CID 2529661) is N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2-c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide?
The InChIKey is DBXXUXQUEUCCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-27(16-23(28)25-19-11-8-12-20(15-19)30-2)17-24(29)26-22-14-7-6-13-21(22)18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide is sourced from PubChem (CID 2529661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).