N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide

C24H20N4O — CID 87711358

IUPACN-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide
SMILESCc1c(/N=N/c2ccccc2)ccc(-c2c(NN=O)ccc3ccccc23)c1C
InChIInChI=1S/C24H20N4O/c1-16-17(2)22(26-25-19-9-4-3-5-10-19)15-13-20(16)24-21-11-7-6-8-18(21)12-14-23(24)27-28-29/h3-15H,1-2H3,(H,27,29)/b26-25+
InChIKeyYTXNSHPMEWTOJD-OCEACIFDSA-N
MW380.45 g/mol
LogP7.63
Rot. Bonds5

About N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide

N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide (PubChem CID 87711358) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide.

Molecular Properties

Compound NameN-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide
PubChem CID87711358
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC NameN-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide
SMILESCc1c(/N=N/c2ccccc2)ccc(-c2c(NN=O)ccc3ccccc23)c1C
InChIInChI=1S/C24H20N4O/c1-16-17(2)22(26-25-19-9-4-3-5-10-19)15-13-20(16)24-21-11-7-6-8-18(21)12-14-23(24)27-28-29/h3-15H,1-2H3,(H,27,29)/b26-25+
InChIKeyYTXNSHPMEWTOJD-OCEACIFDSA-N
XLogP7.63
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide?
The IUPAC name of N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide (CID 87711358) is N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide.
What is the SMILES notation for N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide?
The canonical SMILES for N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide is Cc1c(/N=N/c2ccccc2)ccc(-c2c(NN=O)ccc3ccccc23)c1C.
What is the InChIKey of N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide?
The InChIKey is YTXNSHPMEWTOJD-OCEACIFDSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16-17(2)22(26-25-19-9-4-3-5-10-19)15-13-20(16)24-21-11-7-6-8-18(21)12-14-23(24)27-28-29/h3-15H,1-2H3,(H,27,29)/b26-25+.
What are the key properties of N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide?
N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide has a molecular weight of 380.45 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethyl-4-phenyldiazenylphenyl)naphthalen-2-yl]nitrous amide is sourced from PubChem (CID 87711358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).