(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide

C19H23NO3 — CID 93487213

IUPAC(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C19H23NO3/c1-2-18(19(21)20-13-17-8-5-11-22-17)23-16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12,17-18H,2,5,8,11,13H2,1H3,(H,20,21)/t17-,18-/m0/s1
InChIKeyNXYBSMNCYRABQD-ROUUACIJSA-N
MW313.40 g/mol
LogP3.29
Rot. Bonds6

About (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide

(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide (PubChem CID 93487213) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
PubChem CID93487213
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C19H23NO3/c1-2-18(19(21)20-13-17-8-5-11-22-17)23-16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12,17-18H,2,5,8,11,13H2,1H3,(H,20,21)/t17-,18-/m0/s1
InChIKeyNXYBSMNCYRABQD-ROUUACIJSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-naphthalen-2-yloxybutanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 46771645
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
CID 43907567
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133255501
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 28577313
[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
CID 1470028
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
CID 1470160
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide (CID 93487213) is (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The InChIKey is NXYBSMNCYRABQD-ROUUACIJSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-18(19(21)20-13-17-8-5-11-22-17)23-16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12,17-18H,2,5,8,11,13H2,1H3,(H,20,21)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 93487213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).