ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate

C16H17NO2 — CID 98920075

IUPACethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate
SMILESCCOC(=O)/C=C(/C)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H17NO2/c1-3-19-16(18)10-12(2)17-15-9-8-13-6-4-5-7-14(13)11-15/h4-11,17H,3H2,1-2H3/b12-10-
InChIKeyIMIYQKILTBJFQH-BENRWUELSA-N
MW255.32 g/mol
LogP3.72
Rot. Bonds4

About ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate

ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate (PubChem CID 98920075) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate
PubChem CID98920075
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate
SMILESCCOC(=O)/C=C(/C)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H17NO2/c1-3-19-16(18)10-12(2)17-15-9-8-13-6-4-5-7-14(13)11-15/h4-11,17H,3H2,1-2H3/b12-10-
InChIKeyIMIYQKILTBJFQH-BENRWUELSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate?
The IUPAC name of ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate (CID 98920075) is ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate?
The canonical SMILES for ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate is CCOC(=O)/C=C(/C)Nc1ccc2ccccc2c1.
What is the InChIKey of ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate?
The InChIKey is IMIYQKILTBJFQH-BENRWUELSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-19-16(18)10-12(2)17-15-9-8-13-6-4-5-7-14(13)11-15/h4-11,17H,3H2,1-2H3/b12-10-.
What are the key properties of ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate?
ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate has a molecular weight of 255.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(naphthalen-2-ylamino)but-2-enoate is sourced from PubChem (CID 98920075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).