(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C21H24N2O — CID 9248457

IUPAC(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O/c1-15(23-12-11-17-5-2-3-6-19(17)14-23)21(24)22-20-10-9-16-7-4-8-18(16)13-20/h2-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyFNHLFSMMAUIFQY-OAHLLOKOSA-N
MW320.44 g/mol
LogP3.56
Rot. Bonds3

About (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 9248457) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID9248457
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O/c1-15(23-12-11-17-5-2-3-6-19(17)14-23)21(24)22-20-10-9-16-7-4-8-18(16)13-20/h2-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyFNHLFSMMAUIFQY-OAHLLOKOSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide with MolForge

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Related Compounds

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4818280
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9248397
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-2-hydroxybenzoic acid
CID 136557404
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 47020354
(2R)-N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248461
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9445071
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136756966
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248339
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 9459764
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 9248457) is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCc2ccccc2C1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is FNHLFSMMAUIFQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O/c1-15(23-12-11-17-5-2-3-6-19(17)14-23)21(24)22-20-10-9-16-7-4-8-18(16)13-20/h2-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 9248457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).