N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide

C21H22N2O — CID 70208719

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(Cc1c[nH]c2ccccc12)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C21H22N2O/c1-14(10-17-13-22-20-9-5-4-8-19(17)20)21(24)23-18-11-15-6-2-3-7-16(15)12-18/h2-9,13-14,18,22H,10-12H2,1H3,(H,23,24)
InChIKeyIRNNZAYCJYDKMN-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.63
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide

N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide (PubChem CID 70208719) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
PubChem CID70208719
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(Cc1c[nH]c2ccccc12)C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C21H22N2O/c1-14(10-17-13-22-20-9-5-4-8-19(17)20)21(24)23-18-11-15-6-2-3-7-16(15)12-18/h2-9,13-14,18,22H,10-12H2,1H3,(H,23,24)
InChIKeyIRNNZAYCJYDKMN-UHFFFAOYSA-N
XLogP3.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
N-[1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4967053
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 70159109
(3S)-N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52994169
(2S)-2-(cyclopropylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 61187372
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478
ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
CID 58406243
N-[(3,4-dihydroxyphenyl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70160522
3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 70207530
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
CID 68626670

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide (CID 70208719) is N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide is CC(Cc1c[nH]c2ccccc12)C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is IRNNZAYCJYDKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14(10-17-13-22-20-9-5-4-8-19(17)20)21(24)23-18-11-15-6-2-3-7-16(15)12-18/h2-9,13-14,18,22H,10-12H2,1H3,(H,23,24).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 70208719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).