(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

C14H19NO2 — CID 123510289

IUPAC(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESCOc1cccc2c1CCC([C@H](C)C(N)=O)C2
InChIInChI=1S/C14H19NO2/c1-9(14(15)16)10-6-7-12-11(8-10)4-3-5-13(12)17-2/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)/t9-,10?/m0/s1
InChIKeyYIZKBDUASLZFDP-RGURZIINSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds3

About (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (PubChem CID 123510289) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
PubChem CID123510289
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESCOc1cccc2c1CCC([C@H](C)C(N)=O)C2
InChIInChI=1S/C14H19NO2/c1-9(14(15)16)10-6-7-12-11(8-10)4-3-5-13(12)17-2/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)/t9-,10?/m0/s1
InChIKeyYIZKBDUASLZFDP-RGURZIINSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
CID 105474792
methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 105494456
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
3-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 102420215
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
butane;(2R)-1-fluorobutan-2-ol;(2S)-5-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143917260
5-methoxy-N-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 73455275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (CID 123510289) is (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is COc1cccc2c1CCC([C@H](C)C(N)=O)C2.
What is the InChIKey of (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The InChIKey is YIZKBDUASLZFDP-RGURZIINSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(14(15)16)10-6-7-12-11(8-10)4-3-5-13(12)17-2/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)/t9-,10?/m0/s1.
What are the key properties of (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is sourced from PubChem (CID 123510289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).