N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide

C22H26N2O3 — CID 25023794

IUPACN-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide
SMILESCNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)
InChIKeyQUTIXALGBQKSDN-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.95
Rot. Bonds10

About N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide

N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide (PubChem CID 25023794) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide
PubChem CID25023794
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide
SMILESCNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)
InChIKeyQUTIXALGBQKSDN-UHFFFAOYSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide?
The IUPAC name of N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide (CID 25023794) is N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide.
What is the SMILES notation for N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide?
The canonical SMILES for N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide is CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide?
The InChIKey is QUTIXALGBQKSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide?
N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide has a molecular weight of 366.46 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N'-(3-phenylphenyl)nonanediamide is sourced from PubChem (CID 25023794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).