2-benzamido-2-naphthalen-2-ylpropanoic acid

C20H17NO3 — CID 156695246

IUPAC2-benzamido-2-naphthalen-2-ylpropanoic acid
SMILESCC(NC(=O)c1ccccc1)(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c1-20(19(23)24,21-18(22)15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)13-17/h2-13H,1H3,(H,21,22)(H,23,24)
InChIKeyJSLJKXWNLKGXBN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.57
Rot. Bonds4

About 2-benzamido-2-naphthalen-2-ylpropanoic acid

2-benzamido-2-naphthalen-2-ylpropanoic acid (PubChem CID 156695246) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-benzamido-2-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-benzamido-2-naphthalen-2-ylpropanoic acid
PubChem CID156695246
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-benzamido-2-naphthalen-2-ylpropanoic acid
SMILESCC(NC(=O)c1ccccc1)(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c1-20(19(23)24,21-18(22)15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)13-17/h2-13H,1H3,(H,21,22)(H,23,24)
InChIKeyJSLJKXWNLKGXBN-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 63702147
ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
CID 66813687
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
CID 62398445
3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid
CID 64672120
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 67684435
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-benzamido-2-naphthalen-2-ylpropanoic acid (CID 156695246) is 2-benzamido-2-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-benzamido-2-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-benzamido-2-naphthalen-2-ylpropanoic acid is CC(NC(=O)c1ccccc1)(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-benzamido-2-naphthalen-2-ylpropanoic acid?
The InChIKey is JSLJKXWNLKGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-20(19(23)24,21-18(22)15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)13-17/h2-13H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-benzamido-2-naphthalen-2-ylpropanoic acid?
2-benzamido-2-naphthalen-2-ylpropanoic acid has a molecular weight of 319.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 156695246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).