N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide

C17H19N5O — CID 174063932

IUPACN-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide
SMILESCc1cccc(N(C)C(=O)C/N=N/C(=NN)c2ccccc2)c1
InChIInChI=1S/C17H19N5O/c1-13-7-6-10-15(11-13)22(2)16(23)12-19-21-17(20-18)14-8-4-3-5-9-14/h3-11H,12,18H2,1-2H3/b20-17?,21-19+
InChIKeySPNNTEQUSRCNOA-XNJKHDLESA-N
MW309.37 g/mol
LogP2.73
Rot. Bonds4

About N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide

N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide (PubChem CID 174063932) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide
PubChem CID174063932
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide
SMILESCc1cccc(N(C)C(=O)C/N=N/C(=NN)c2ccccc2)c1
InChIInChI=1S/C17H19N5O/c1-13-7-6-10-15(11-13)22(2)16(23)12-19-21-17(20-18)14-8-4-3-5-9-14/h3-11H,12,18H2,1-2H3/b20-17?,21-19+
InChIKeySPNNTEQUSRCNOA-XNJKHDLESA-N
XLogP2.73
TPSA83.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.73
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide (CID 174063932) is N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide is Cc1cccc(N(C)C(=O)C/N=N/C(=NN)c2ccccc2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide?
The InChIKey is SPNNTEQUSRCNOA-XNJKHDLESA-N. The full InChI is InChI=1S/C17H19N5O/c1-13-7-6-10-15(11-13)22(2)16(23)12-19-21-17(20-18)14-8-4-3-5-9-14/h3-11H,12,18H2,1-2H3/b20-17?,21-19+.
What are the key properties of N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide?
N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-2-[(C-phenylcarbonohydrazonoyl)diazenyl]acetamide is sourced from PubChem (CID 174063932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).