N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide

C20H17N3O3 — CID 108526505

IUPACN'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccc2ccccc2c1)c1cccc(N)c1
InChIInChI=1S/C20H17N3O3/c1-13(24)23(18-8-4-7-16(21)12-18)20(26)19(25)22-17-10-9-14-5-2-3-6-15(14)11-17/h2-12H,21H2,1H3,(H,22,25)
InChIKeyLVCUQWDOIZWAQJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.94
Rot. Bonds2

About N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide

N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide (PubChem CID 108526505) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
PubChem CID108526505
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccc2ccccc2c1)c1cccc(N)c1
InChIInChI=1S/C20H17N3O3/c1-13(24)23(18-8-4-7-16(21)12-18)20(26)19(25)22-17-10-9-14-5-2-3-6-15(14)11-17/h2-12H,21H2,1H3,(H,22,25)
InChIKeyLVCUQWDOIZWAQJ-UHFFFAOYSA-N
XLogP2.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide 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'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512765
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895
N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108525696
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516382
N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526488
N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
CID 61296378
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide (CID 108526505) is N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide is CC(=O)N(C(=O)C(=O)Nc1ccc2ccccc2c1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide?
The InChIKey is LVCUQWDOIZWAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(24)23(18-8-4-7-16(21)12-18)20(26)19(25)22-17-10-9-14-5-2-3-6-15(14)11-17/h2-12H,21H2,1H3,(H,22,25).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide?
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide has a molecular weight of 347.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide is sourced from PubChem (CID 108526505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).