(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide

C20H24N2O — CID 9248441

IUPAC(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H24N2O/c1-15-7-9-17(10-8-15)13-21-20(23)16(2)22-12-11-18-5-3-4-6-19(18)14-22/h3-10,16H,11-14H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyOXUKZYRZNXUKHA-INIZCTEOSA-N
MW308.43 g/mol
LogP3.06
Rot. Bonds4

About (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide

(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 9248441) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID9248441
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H24N2O/c1-15-7-9-17(10-8-15)13-21-20(23)16(2)22-12-11-18-5-3-4-6-19(18)14-22/h3-10,16H,11-14H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyOXUKZYRZNXUKHA-INIZCTEOSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30172650
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17447413
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9248409
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289
N-(2-amino-2-methylpropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 119628097
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 124844088
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]-3-oxopropanamide
CID 108945714
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461265
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119431742
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 86993654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide (CID 9248441) is (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)[C@H](C)N2CCc3ccccc3C2)cc1.
What is the InChIKey of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is OXUKZYRZNXUKHA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-7-9-17(10-8-15)13-21-20(23)16(2)22-12-11-18-5-3-4-6-19(18)14-22/h3-10,16H,11-14H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 9248441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).