N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide

C20H24N2O2 — CID 112973581

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(C)c(OCCNC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C20H24N2O2/c1-14-8-9-15(2)19(12-14)24-11-10-21-20(23)22-16(3)13-17-6-4-5-7-18(17)22/h4-9,12,16H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyBZECCCIYPGHLCV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.84
Rot. Bonds4

About N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide

N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 112973581) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID112973581
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(C)c(OCCNC(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C20H24N2O2/c1-14-8-9-15(2)19(12-14)24-11-10-21-20(23)22-16(3)13-17-6-4-5-7-18(17)22/h4-9,12,16H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyBZECCCIYPGHLCV-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112974041
N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108883584
2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 43909683
2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
CID 108874681
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 97094963
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108988104
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108510629

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 112973581) is N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide is Cc1ccc(C)c(OCCNC(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is BZECCCIYPGHLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-8-9-15(2)19(12-14)24-11-10-21-20(23)22-16(3)13-17-6-4-5-7-18(17)22/h4-9,12,16H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 112973581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).