N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide

C17H19N3O3 — CID 39453688

IUPACN-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(21)19-14-4-3-5-15(10-14)20-17(22)11-18-13-6-8-16(23-2)9-7-13/h3-10,18H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWKLVWYSPCNSCFE-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.70
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide

N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide (PubChem CID 39453688) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
PubChem CID39453688
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(21)19-14-4-3-5-15(10-14)20-17(22)11-18-13-6-8-16(23-2)9-7-13/h3-10,18H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWKLVWYSPCNSCFE-UHFFFAOYSA-N
XLogP2.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide (CID 39453688) is N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide?
The InChIKey is WKLVWYSPCNSCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(21)19-14-4-3-5-15(10-14)20-17(22)11-18-13-6-8-16(23-2)9-7-13/h3-10,18H,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide?
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 39453688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).