[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate

C19H23NO3 — CID 7782738

IUPAC[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCC(C)[C@H](C)NC(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H23NO3/c1-13(2)14(3)20-18(21)12-23-19(22)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyLGYAHDYTRLXJRZ-AWEZNQCLSA-N
MW313.40 g/mol
LogP3.09
Rot. Bonds6

About [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 7782738) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID7782738
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCC(C)[C@H](C)NC(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H23NO3/c1-13(2)14(3)20-18(21)12-23-19(22)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyLGYAHDYTRLXJRZ-AWEZNQCLSA-N
XLogP3.09
TPSA55.40 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625176
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate
CID 55319414
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 7867083
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572911
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 3399745
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7763020
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 55398862

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 7782738) is [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate is CC(C)[C@H](C)NC(=O)COC(=O)Cc1cccc2ccccc12.
What is the InChIKey of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is LGYAHDYTRLXJRZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13(2)14(3)20-18(21)12-23-19(22)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 313.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 7782738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).