N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide

C20H25N3O4 — CID 54825386

IUPACN-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
SMILESCCOCCOc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-26-11-12-27-19-9-7-16(8-10-19)21-14-20(25)23-18-6-4-5-17(13-18)22-15(2)24/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRKAHUBGNWXETON-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.11
Rot. Bonds10

About N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide

N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide (PubChem CID 54825386) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
PubChem CID54825386
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
SMILESCCOCCOc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-26-11-12-27-19-9-7-16(8-10-19)21-14-20(25)23-18-6-4-5-17(13-18)22-15(2)24/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRKAHUBGNWXETON-UHFFFAOYSA-N
XLogP3.11
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841252
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825290
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide (CID 54825386) is N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide is CCOCCOc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide?
The InChIKey is RKAHUBGNWXETON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-26-11-12-27-19-9-7-16(8-10-19)21-14-20(25)23-18-6-4-5-17(13-18)22-15(2)24/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide?
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.11, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54825386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).