N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide

C19H23N3O5 — CID 109010044

IUPACN-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-12(23)21-13-5-7-14(8-6-13)22-18(24)11-20-15-9-16(25-2)19(27-4)17(10-15)26-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNFLWUDKLSBQOLK-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.72
Rot. Bonds8

About N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 109010044) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID109010044
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-12(23)21-13-5-7-14(8-6-13)22-18(24)11-20-15-9-16(25-2)19(27-4)17(10-15)26-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNFLWUDKLSBQOLK-UHFFFAOYSA-N
XLogP2.72
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362283
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008378

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 109010044) is N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is NFLWUDKLSBQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12(23)21-13-5-7-14(8-6-13)22-18(24)11-20-15-9-16(25-2)19(27-4)17(10-15)26-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 373.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 109010044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).