butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate

C19H23NO3 — CID 102138109

IUPACbutyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
SMILESCCCCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O
InChIInChI=1S/C19H23NO3/c1-3-4-11-23-19(22)18(20-14(2)21)13-15-9-10-16-7-5-6-8-17(16)12-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyCXYDTTAPVZLJIH-SFHVURJKSA-N
MW313.40 g/mol
LogP3.23
Rot. Bonds7

About butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate

butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate (PubChem CID 102138109) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namebutyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
PubChem CID102138109
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namebutyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
SMILESCCCCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O
InChIInChI=1S/C19H23NO3/c1-3-4-11-23-19(22)18(20-14(2)21)13-15-9-10-16-7-5-6-8-17(16)12-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyCXYDTTAPVZLJIH-SFHVURJKSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735
butyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate
CID 6426993
octyl 2-amino-3-naphthalen-2-ylpropanoate
CID 166069428
butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
CID 151598616
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
butyl 2-(2-acetamidopropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 541920
butyl (2S,3R)-2-[[(2S)-1-methoxy-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-3-methylpyrrolidine-1-carboxylate
CID 118429218
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327
methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
CID 170714861
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6-aminohexanamide
CID 164614909
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379

Frequently Asked Questions

What is the IUPAC name of butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
The IUPAC name of butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate (CID 102138109) is butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
The canonical SMILES for butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate is CCCCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O.
What is the InChIKey of butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
The InChIKey is CXYDTTAPVZLJIH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-4-11-23-19(22)18(20-14(2)21)13-15-9-10-16-7-5-6-8-17(16)12-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate has a molecular weight of 313.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 102138109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).