N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide

C19H22N2O2 — CID 108884531

IUPACN-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCCOc1ccc(CNC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C19H22N2O2/c1-3-23-17-10-8-15(9-11-17)13-20-19(22)21-14(2)12-16-6-4-5-7-18(16)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyOIDLNNDDDCUPKR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.75
Rot. Bonds4

About N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide

N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 108884531) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID108884531
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCCOc1ccc(CNC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C19H22N2O2/c1-3-23-17-10-8-15(9-11-17)13-20-19(22)21-14(2)12-16-6-4-5-7-18(16)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyOIDLNNDDDCUPKR-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273989
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 94024655
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 108869872
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112974041
N-benzyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049208

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 108884531) is N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide is CCOc1ccc(CNC(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is OIDLNNDDDCUPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-23-17-10-8-15(9-11-17)13-20-19(22)21-14(2)12-16-6-4-5-7-18(16)21/h4-11,14H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108884531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).