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

C19H27NO2 — CID 97243786

IUPAC(2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide
SMILESC[C@H](C(=O)N[C@@]1(C)CCc2ccccc2C1)C1CCOCC1
InChIInChI=1S/C19H27NO2/c1-14(15-8-11-22-12-9-15)18(21)20-19(2)10-7-16-5-3-4-6-17(16)13-19/h3-6,14-15H,7-13H2,1-2H3,(H,20,21)/t14-,19-/m0/s1
InChIKeyGUECHZVALNAWRM-LIRRHRJNSA-N
MW301.43 g/mol
LogP3.11
Rot. Bonds3

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

(2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide (PubChem CID 97243786) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide
PubChem CID97243786
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide
SMILESC[C@H](C(=O)N[C@@]1(C)CCc2ccccc2C1)C1CCOCC1
InChIInChI=1S/C19H27NO2/c1-14(15-8-11-22-12-9-15)18(21)20-19(2)10-7-16-5-3-4-6-17(16)13-19/h3-6,14-15H,7-13H2,1-2H3,(H,20,21)/t14-,19-/m0/s1
InChIKeyGUECHZVALNAWRM-LIRRHRJNSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide (CID 97243786) is (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide is C[C@H](C(=O)N[C@@]1(C)CCc2ccccc2C1)C1CCOCC1.
What is the InChIKey of (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide?
The InChIKey is GUECHZVALNAWRM-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H27NO2/c1-14(15-8-11-22-12-9-15)18(21)20-19(2)10-7-16-5-3-4-6-17(16)13-19/h3-6,14-15H,7-13H2,1-2H3,(H,20,21)/t14-,19-/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide?
(2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide has a molecular weight of 301.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 97243786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).