(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C21H24N2O2 — CID 32718919

IUPAC(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O2/c1-15(23-12-10-16-6-2-3-7-17(16)14-23)21(24)22-19-11-13-25-20-9-5-4-8-18(19)20/h2-9,15,19H,10-14H2,1H3,(H,22,24)/t15-,19-/m1/s1
InChIKeyPIEBTSJHWAWDGR-DNVCBOLYSA-N
MW336.44 g/mol
LogP3.07
Rot. Bonds3

About (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 32718919) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID32718919
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O2/c1-15(23-12-10-16-6-2-3-7-17(16)14-23)21(24)22-19-11-13-25-20-9-5-4-8-18(19)20/h2-9,15,19H,10-14H2,1H3,(H,22,24)/t15-,19-/m1/s1
InChIKeyPIEBTSJHWAWDGR-DNVCBOLYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
1-[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904104
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide
CID 86918724
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95344485
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]guanidine
CID 111599082
(2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 97063673
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86919603
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thian-4-yl)propanamide
CID 56786129
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide
CID 124742386
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 32718919) is (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCc2ccccc2C1.
What is the InChIKey of (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is PIEBTSJHWAWDGR-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(23-12-10-16-6-2-3-7-17(16)14-23)21(24)22-19-11-13-25-20-9-5-4-8-18(19)20/h2-9,15,19H,10-14H2,1H3,(H,22,24)/t15-,19-/m1/s1.
What are the key properties of (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 32718919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).