N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide

C24H19N3O2 — CID 108525369

IUPACN'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide
SMILESNc1ccc(N(C(=O)C(=O)Nc2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C24H19N3O2/c25-18-13-15-20(16-14-18)27(19-9-2-1-3-10-19)24(29)23(28)26-22-12-6-8-17-7-4-5-11-21(17)22/h1-16H,25H2,(H,26,28)
InChIKeyOJVLFPYNOLHNFS-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.73
Rot. Bonds3

About N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide

N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide (PubChem CID 108525369) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide
PubChem CID108525369
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide
SMILESNc1ccc(N(C(=O)C(=O)Nc2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C24H19N3O2/c25-18-13-15-20(16-14-18)27(19-9-2-1-3-10-19)24(29)23(28)26-22-12-6-8-17-7-4-5-11-21(17)22/h1-16H,25H2,(H,26,28)
InChIKeyOJVLFPYNOLHNFS-UHFFFAOYSA-N
XLogP4.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
naphthalen-1-ylurea;hydrochloride
CID 141142203
ethyl 4-[[2-(N-(4-aminophenyl)anilino)-2-oxoacetyl]amino]benzoate
CID 108500099
N,N',N'-triphenyloxamide
CID 54357836
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide
CID 108509880
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide?
The IUPAC name of N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide (CID 108525369) is N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide is Nc1ccc(N(C(=O)C(=O)Nc2cccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide?
The InChIKey is OJVLFPYNOLHNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-18-13-15-20(16-14-18)27(19-9-2-1-3-10-19)24(29)23(28)26-22-12-6-8-17-7-4-5-11-21(17)22/h1-16H,25H2,(H,26,28).
What are the key properties of N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide?
N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide has a molecular weight of 381.44 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide is sourced from PubChem (CID 108525369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).