N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide

C25H26N2O2 — CID 3393245

IUPACN,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
SMILESCc1cccc(NC(=O)C(C(=O)Nc2cccc(C)c2C)c2ccccc2)c1C
InChIInChI=1S/C25H26N2O2/c1-16-10-8-14-21(18(16)3)26-24(28)23(20-12-6-5-7-13-20)25(29)27-22-15-9-11-17(2)19(22)4/h5-15,23H,1-4H3,(H,26,28)(H,27,29)
InChIKeyIJGLLSCHQOUJMR-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.28
Rot. Bonds5

About N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide

N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide (PubChem CID 3393245) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
PubChem CID3393245
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
SMILESCc1cccc(NC(=O)C(C(=O)Nc2cccc(C)c2C)c2ccccc2)c1C
InChIInChI=1S/C25H26N2O2/c1-16-10-8-14-21(18(16)3)26-24(28)23(20-12-6-5-7-13-20)25(29)27-22-15-9-11-17(2)19(22)4/h5-15,23H,1-4H3,(H,26,28)(H,27,29)
InChIKeyIJGLLSCHQOUJMR-UHFFFAOYSA-N
XLogP5.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8714216
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
N-(2,3-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 136519756
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9445736
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide?
The IUPAC name of N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide (CID 3393245) is N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide.
What is the SMILES notation for N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide?
The canonical SMILES for N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide is Cc1cccc(NC(=O)C(C(=O)Nc2cccc(C)c2C)c2ccccc2)c1C.
What is the InChIKey of N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide?
The InChIKey is IJGLLSCHQOUJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-16-10-8-14-21(18(16)3)26-24(28)23(20-12-6-5-7-13-20)25(29)27-22-15-9-11-17(2)19(22)4/h5-15,23H,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide?
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide has a molecular weight of 386.50 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide is sourced from PubChem (CID 3393245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).