(3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate

C24H25NO3 — CID 10429546

IUPAC(3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
SMILESCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1cc(C)cc(C)c1
InChIInChI=1S/C24H25NO3/c1-16-10-17(2)12-20(11-16)15-28-24(27)23(25-18(3)26)14-19-8-9-21-6-4-5-7-22(21)13-19/h4-13,23H,14-15H2,1-3H3,(H,25,26)/t23-/m0/s1
InChIKeyYJJKIQVHZFHYRR-QHCPKHFHSA-N
MW375.47 g/mol
LogP4.25
Rot. Bonds6

About (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate

(3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate (PubChem CID 10429546) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Name(3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
PubChem CID10429546
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
SMILESCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1cc(C)cc(C)c1
InChIInChI=1S/C24H25NO3/c1-16-10-17(2)12-20(11-16)15-28-24(27)23(25-18(3)26)14-19-8-9-21-6-4-5-7-22(21)13-19/h4-13,23H,14-15H2,1-3H3,(H,25,26)/t23-/m0/s1
InChIKeyYJJKIQVHZFHYRR-QHCPKHFHSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cbz-(2-Nal)-Leu-Leu-H
CID 489996
Cbz-2Nal-1Nal-Leu-al
CID 44341828
N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
Z-2-Nal-chloromethylketone
CID 7019693
[(1R)-3-methyl-1-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid
CID 44582997
[(1R)-3-methyl-1-[[(2S)-3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl]boronic acid
CID 44583177
[(2R)-1-[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]pyrrolidin-2-yl]boronic acid
CID 137660779
[(2-Phenylethyl)carbamoyl]methyl 3,4-dimethylbenzoate
CID 2715809
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
Benzyl [(diphenylacetyl)amino]acetate
CID 1100660
(S,E)-3-((S)-1-Benzyloxycarbonyl-2-phenylethylcarbamoyl)-acrylic acid ethyl ester
CID 10619827

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
The IUPAC name of (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate (CID 10429546) is (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
The canonical SMILES for (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate is CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1cc(C)cc(C)c1.
What is the InChIKey of (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
The InChIKey is YJJKIQVHZFHYRR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NO3/c1-16-10-17(2)12-20(11-16)15-28-24(27)23(25-18(3)26)14-19-8-9-21-6-4-5-7-22(21)13-19/h4-13,23H,14-15H2,1-3H3,(H,25,26)/t23-/m0/s1.
What are the key properties of (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
(3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate has a molecular weight of 375.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 10429546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).