N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide

C20H24N2O4 — CID 113061243

IUPACN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
SMILESCOc1ccc(N(CCNC(=O)Cc2ccccc2)C(C)=O)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-15(23)22(18-10-9-17(25-2)14-19(18)26-3)12-11-21-20(24)13-16-7-5-4-6-8-16/h4-10,14H,11-13H2,1-3H3,(H,21,24)
InChIKeyNIEZSJXIFJUKFM-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.42
Rot. Bonds8

About N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide

N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide (PubChem CID 113061243) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
PubChem CID113061243
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
SMILESCOc1ccc(N(CCNC(=O)Cc2ccccc2)C(C)=O)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-15(23)22(18-10-9-17(25-2)14-19(18)26-3)12-11-21-20(24)13-16-7-5-4-6-8-16/h4-10,14H,11-13H2,1-3H3,(H,21,24)
InChIKeyNIEZSJXIFJUKFM-UHFFFAOYSA-N
XLogP2.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
N-(2,4-dimethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113061264
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061222
N-[2-(benzenesulfonamido)ethyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 113061278
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N-[2-(N-acetyl-2-propan-2-ylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113058617
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
CID 113061146
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113061258
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062
N-[2-(N-acetyl-2-chloroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113059443

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide (CID 113061243) is N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide is COc1ccc(N(CCNC(=O)Cc2ccccc2)C(C)=O)c(OC)c1.
What is the InChIKey of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide?
The InChIKey is NIEZSJXIFJUKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(23)22(18-10-9-17(25-2)14-19(18)26-3)12-11-21-20(24)13-16-7-5-4-6-8-16/h4-10,14H,11-13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide?
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide has a molecular weight of 356.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113061243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).