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

C14H19NO2 — CID 53353943

IUPACN-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
SMILESCCC(=O)N[C@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C14H19NO2/c1-3-14(16)15-11-7-8-12-10(9-11)5-4-6-13(12)17-2/h4-6,11H,3,7-9H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeySAEUBVASPHMFGN-NSHDSACASA-N
MW233.31 g/mol
LogP2.08
Rot. Bonds3

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

N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide (PubChem CID 53353943) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
PubChem CID53353943
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
SMILESCCC(=O)N[C@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C14H19NO2/c1-3-14(16)15-11-7-8-12-10(9-11)5-4-6-13(12)17-2/h4-6,11H,3,7-9H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeySAEUBVASPHMFGN-NSHDSACASA-N
XLogP2.08
TPSA38.33 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide?
The IUPAC name of N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide (CID 53353943) is N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide?
The canonical SMILES for N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide is CCC(=O)N[C@H]1CCc2c(cccc2OC)C1.
What is the InChIKey of N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide?
The InChIKey is SAEUBVASPHMFGN-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-14(16)15-11-7-8-12-10(9-11)5-4-6-13(12)17-2/h4-6,11H,3,7-9H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide?
N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide has a molecular weight of 233.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide is sourced from PubChem (CID 53353943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).