ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate

C25H21NO2 — CID 175236588

IUPACethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate
SMILESCCOC(=O)C(N)=C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H21NO2/c1-2-28-25(27)24(26)23(21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h3-16H,2,26H2,1H3
InChIKeyWPYJJAGHUPQHNO-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.27
Rot. Bonds4

About ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate

ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate (PubChem CID 175236588) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate
PubChem CID175236588
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Nameethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate
SMILESCCOC(=O)C(N)=C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H21NO2/c1-2-28-25(27)24(26)23(21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h3-16H,2,26H2,1H3
InChIKeyWPYJJAGHUPQHNO-UHFFFAOYSA-N
XLogP5.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.27
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

ethyl 2-naphthalen-1-ylprop-2-enoate;2-naphthalen-1-ylprop-2-enoic acid
CID 162045658
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
CID 129133768
CID 129133768
ethyl chrysene-1-carboxylate
CID 86251232
triethylsilyl naphthalene-1-carboperoxoate
CID 158926273
diethyl 2-(naphthalen-1-ylmethylidene)propanedioate;naphthalene-1-carbaldehyde
CID 161000803
ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
ethyl acetate;phenanthrene
CID 160726264
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate
CID 5222454
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
1-naphthalen-1-ylbutane-1,2-dione
CID 139265593

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate?
The IUPAC name of ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate (CID 175236588) is ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate.
What is the SMILES notation for ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate?
The canonical SMILES for ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate is CCOC(=O)C(N)=C(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate?
The InChIKey is WPYJJAGHUPQHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-2-28-25(27)24(26)23(21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h3-16H,2,26H2,1H3.
What are the key properties of ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate?
ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate has a molecular weight of 367.45 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 175236588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).