N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide

C14H19NO2 — CID 42627860

IUPACN-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1O
InChIInChI=1S/C14H19NO2/c1-9(2)14(17)15-13-11-6-4-3-5-10(11)7-8-12(13)16/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17)/t12-,13+/m0/s1
InChIKeyWYZOSZAJVFLARG-QWHCGFSZSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds2

About N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide

N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide (PubChem CID 42627860) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide
PubChem CID42627860
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1O
InChIInChI=1S/C14H19NO2/c1-9(2)14(17)15-13-11-6-4-3-5-10(11)7-8-12(13)16/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17)/t12-,13+/m0/s1
InChIKeyWYZOSZAJVFLARG-QWHCGFSZSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide (CID 42627860) is N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide?
The InChIKey is WYZOSZAJVFLARG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)14(17)15-13-11-6-4-3-5-10(11)7-8-12(13)16/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide?
N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylpropanamide is sourced from PubChem (CID 42627860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).