2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one

C19H21N3O — CID 69185805

IUPAC2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
SMILESNC(Cc1ccc2c(c1)NCC2)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C19H21N3O/c20-17(9-13-5-6-14-7-8-21-18(14)10-13)19(23)22-11-15-3-1-2-4-16(15)12-22/h1-6,10,17,21H,7-9,11-12,20H2
InChIKeyCOQOAJROIBNXPL-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.07
Rot. Bonds3

About 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one

2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one (PubChem CID 69185805) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
PubChem CID69185805
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
SMILESNC(Cc1ccc2c(c1)NCC2)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C19H21N3O/c20-17(9-13-5-6-14-7-8-21-18(14)10-13)19(23)22-11-15-3-1-2-4-16(15)12-22/h1-6,10,17,21H,7-9,11-12,20H2
InChIKeyCOQOAJROIBNXPL-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 62230153
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one
CID 69192434
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-(2,3-dihydroxypropyl)phenyl]propan-1-one
CID 69192437
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 69186075
(2R)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbutan-1-one
CID 69254235
2-(2,3-dihydro-1H-indol-6-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 115105325
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]butane-1,4-dione
CID 53466121
1-[(2S)-2-amino-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 78919913
2-amino-3-[2-chloro-4-(4-chlorophenyl)phenyl]-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 69182106
(2S)-2-amino-1-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 119312746
2-amino-1-(1,3-dihydroisoindol-2-yl)-4-methoxybutan-1-one
CID 62476291

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The IUPAC name of 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one (CID 69185805) is 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The canonical SMILES for 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one is NC(Cc1ccc2c(c1)NCC2)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The InChIKey is COQOAJROIBNXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-17(9-13-5-6-14-7-8-21-18(14)10-13)19(23)22-11-15-3-1-2-4-16(15)12-22/h1-6,10,17,21H,7-9,11-12,20H2.
What are the key properties of 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one has a molecular weight of 307.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one is sourced from PubChem (CID 69185805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).