ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate

C21H19NO2 — CID 139253534

IUPACethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H19NO2/c1-2-24-21(23)15-20(17-10-4-3-5-11-17)22-19-14-8-12-16-9-6-7-13-18(16)19/h3-15,22H,2H2,1H3/b20-15-
InChIKeyNOMHRZJQNMKRPQ-HKWRFOASSA-N
MW317.39 g/mol
LogP4.86
Rot. Bonds5

About ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate

ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate (PubChem CID 139253534) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate
PubChem CID139253534
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Nameethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H19NO2/c1-2-24-21(23)15-20(17-10-4-3-5-11-17)22-19-14-8-12-16-9-6-7-13-18(16)19/h3-15,22H,2H2,1H3/b20-15-
InChIKeyNOMHRZJQNMKRPQ-HKWRFOASSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.86
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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CID 622585
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4,6-dimethyl-N-(naphthalen-1-yl)-2-oxo-2H-pyran-5-carboxamide
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[2-(naphthalen-1-ylamino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2362615
ethyl 4-(cyclohexylamino)-1-naphthalen-1-yl-5-oxo-2H-pyrrole-3-carboxylate
CID 66572409
ethyl (Z)-3-(4-fluoroanilino)-3-phenylprop-2-enoate
CID 102036367
Z-3-phenyl-3-phenylamino acrylic acid ethylester
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methyl (Z)-3-anilino-3-phenylprop-2-enoate
CID 10999567
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CID 134850921

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate (CID 139253534) is ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate is CCOC(=O)/C=C(\Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate?
The InChIKey is NOMHRZJQNMKRPQ-HKWRFOASSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-24-21(23)15-20(17-10-4-3-5-11-17)22-19-14-8-12-16-9-6-7-13-18(16)19/h3-15,22H,2H2,1H3/b20-15-.
What are the key properties of ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate?
ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate has a molecular weight of 317.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(naphthalen-1-ylamino)-3-phenylprop-2-enoate is sourced from PubChem (CID 139253534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).