N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide

C20H20N2O2 — CID 965806

IUPACN-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1C
InChIInChI=1S/C20H20N2O2/c1-13-7-6-9-18(14(13)2)21-20(24)11-22-15(3)17(12-23)16-8-4-5-10-19(16)22/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyUOJQKXCMNCVLML-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.02
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide (PubChem CID 965806) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
PubChem CID965806
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1C
InChIInChI=1S/C20H20N2O2/c1-13-7-6-9-18(14(13)2)21-20(24)11-22-15(3)17(12-23)16-8-4-5-10-19(16)22/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyUOJQKXCMNCVLML-UHFFFAOYSA-N
XLogP4.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 802610
N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 4201665
2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 976850
2-(3-formyl-2-methylindol-1-yl)acetate
CID 5175467
N-(2,3-dimethylphenyl)-2-(2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide;hydrochloride
CID 22396810
N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 802955
2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 52714750
2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 60548874
N-(2,3-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251039
N-(2,3-dichlorophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767922
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 16956541
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide (CID 965806) is N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide is Cc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide?
The InChIKey is UOJQKXCMNCVLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-7-6-9-18(14(13)2)21-20(24)11-22-15(3)17(12-23)16-8-4-5-10-19(16)22/h4-10,12H,11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide is sourced from PubChem (CID 965806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).