ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate

C21H21NO2 — CID 171673323

IUPACethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H21NO2/c1-3-24-21(23)15(2)22-20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)20/h4-15,22H,3H2,1-2H3
InChIKeyBVBMSJIKCWUTMY-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.87
Rot. Bonds5

About ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate

ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate (PubChem CID 171673323) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate
PubChem CID171673323
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Nameethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H21NO2/c1-3-24-21(23)15(2)22-20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)20/h4-15,22H,3H2,1-2H3
InChIKeyBVBMSJIKCWUTMY-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]benzoate
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ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate
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ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate (CID 171673323) is ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate is CCOC(=O)C(C)Nc1ccc(-c2ccccc2)c2ccccc12.
What is the InChIKey of ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate?
The InChIKey is BVBMSJIKCWUTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-3-24-21(23)15(2)22-20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)20/h4-15,22H,3H2,1-2H3.
What are the key properties of ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate?
ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate has a molecular weight of 319.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate is sourced from PubChem (CID 171673323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).