1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone

C21H22N2O — CID 3983950

IUPAC1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CNC1CCCc2ccccc21
InChIInChI=1S/C21H22N2O/c1-14-21(17-10-4-5-11-19(17)23-14)20(24)13-22-18-12-6-8-15-7-2-3-9-16(15)18/h2-5,7,9-11,18,22-23H,6,8,12-13H2,1H3
InChIKeyYNCYOIVUOAIOFH-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.33
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone

1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone (PubChem CID 3983950) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
PubChem CID3983950
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CNC1CCCc2ccccc21
InChIInChI=1S/C21H22N2O/c1-14-21(17-10-4-5-11-19(17)23-14)20(24)13-22-18-12-6-8-15-7-2-3-9-16(15)18/h2-5,7,9-11,18,22-23H,6,8,12-13H2,1H3
InChIKeyYNCYOIVUOAIOFH-UHFFFAOYSA-N
XLogP4.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 47024255
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 61487918
3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
CID 98017040
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 60680631
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone (CID 3983950) is 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone is Cc1[nH]c2ccccc2c1C(=O)CNC1CCCc2ccccc21.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone?
The InChIKey is YNCYOIVUOAIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-21(17-10-4-5-11-19(17)23-14)20(24)13-22-18-12-6-8-15-7-2-3-9-16(15)18/h2-5,7,9-11,18,22-23H,6,8,12-13H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone?
1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone has a molecular weight of 318.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone is sourced from PubChem (CID 3983950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).