(1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide

C17H23NO3 — CID 124841595

IUPAC(1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
SMILESCCC[C@](C)(CO)NC(=O)[C@H]1CCC(=O)c2ccccc21
InChIInChI=1S/C17H23NO3/c1-3-10-17(2,11-19)18-16(21)14-8-9-15(20)13-7-5-4-6-12(13)14/h4-7,14,19H,3,8-11H2,1-2H3,(H,18,21)/t14-,17+/m0/s1
InChIKeyAURVKDLYXNDJPN-WMLDXEAASA-N
MW289.37 g/mol
LogP2.41
Rot. Bonds5

About (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide

(1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide (PubChem CID 124841595) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
PubChem CID124841595
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
SMILESCCC[C@](C)(CO)NC(=O)[C@H]1CCC(=O)c2ccccc21
InChIInChI=1S/C17H23NO3/c1-3-10-17(2,11-19)18-16(21)14-8-9-15(20)13-7-5-4-6-12(13)14/h4-7,14,19H,3,8-11H2,1-2H3,(H,18,21)/t14-,17+/m0/s1
InChIKeyAURVKDLYXNDJPN-WMLDXEAASA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The IUPAC name of (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide (CID 124841595) is (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide is CCC[C@](C)(CO)NC(=O)[C@H]1CCC(=O)c2ccccc21.
What is the InChIKey of (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
The InChIKey is AURVKDLYXNDJPN-WMLDXEAASA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-10-17(2,11-19)18-16(21)14-8-9-15(20)13-7-5-4-6-12(13)14/h4-7,14,19H,3,8-11H2,1-2H3,(H,18,21)/t14-,17+/m0/s1.
What are the key properties of (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide?
(1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2R)-1-hydroxy-2-methylpentan-2-yl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 124841595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).