N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide

C22H24N2O2 — CID 139775325

IUPACN-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide
SMILESCn1c(C=Cc2c(O)cccc2NC(=O)C(C)(C)C)cc2ccccc21
InChIInChI=1S/C22H24N2O2/c1-22(2,3)21(26)23-18-9-7-11-20(25)17(18)13-12-16-14-15-8-5-6-10-19(15)24(16)4/h5-14,25H,1-4H3,(H,23,26)
InChIKeyCHWZDZMTQVWSJW-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.04
Rot. Bonds3

About N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide

N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 139775325) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide
PubChem CID139775325
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide
SMILESCn1c(C=Cc2c(O)cccc2NC(=O)C(C)(C)C)cc2ccccc21
InChIInChI=1S/C22H24N2O2/c1-22(2,3)21(26)23-18-9-7-11-20(25)17(18)13-12-16-14-15-8-5-6-10-19(15)24(16)4/h5-14,25H,1-4H3,(H,23,26)
InChIKeyCHWZDZMTQVWSJW-UHFFFAOYSA-N
XLogP5.04
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide (CID 139775325) is N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide is Cn1c(C=Cc2c(O)cccc2NC(=O)C(C)(C)C)cc2ccccc21.
What is the InChIKey of N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is CHWZDZMTQVWSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(2,3)21(26)23-18-9-7-11-20(25)17(18)13-12-16-14-15-8-5-6-10-19(15)24(16)4/h5-14,25H,1-4H3,(H,23,26).
What are the key properties of N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide?
N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 139775325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).