[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate

C30H25NO4 — CID 59832740

IUPAC[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(N(c2ccc(COC(=O)C(=C)C)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H25NO4/c1-4-29(32)35-28-17-15-26(16-18-28)31(27-14-11-23-7-5-6-8-24(23)19-27)25-12-9-22(10-13-25)20-34-30(33)21(2)3/h4-19H,1-2,20H2,3H3
InChIKeyJHMCEMUUVMVDGG-UHFFFAOYSA-N
MW463.53 g/mol
LogP7.02
Rot. Bonds8

About [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate

[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 59832740) has the molecular formula C30H25NO4 and a molecular weight of 463.53 g/mol. Its IUPAC name is [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate
PubChem CID59832740
Molecular FormulaC30H25NO4
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(N(c2ccc(COC(=O)C(=C)C)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H25NO4/c1-4-29(32)35-28-17-15-26(16-18-28)31(27-14-11-23-7-5-6-8-24(23)19-27)25-12-9-22(10-13-25)20-34-30(33)21(2)3/h4-19H,1-2,20H2,3H3
InChIKeyJHMCEMUUVMVDGG-UHFFFAOYSA-N
XLogP7.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(2-methylprop-2-enoyloxymethyl)-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832690
[4-[4-[(1-hydroxy-2-methylpropoxy)methyl]-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 58090206
[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 59832655
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
[4-[N-(3,4-dimethylphenyl)-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59392120
3-[4-[N-naphthalen-2-yl-4-(3-prop-2-enoyloxypropyl)anilino]phenyl]propyl prop-2-enoate
CID 170682277
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[4-[N-(3-butyl-4-methylphenyl)-4-(prop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 89328506
[4-[4-(2-methylprop-2-enoyl)-N-(4-phenoxyphenyl)anilino]phenyl]methyl prop-2-enoate
CID 90291381
[4-(4-methyl-N-[4-[[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]methoxymethyl]phenyl]anilino)phenyl] prop-2-enoate
CID 22089867

Frequently Asked Questions

What is the IUPAC name of [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate (CID 59832740) is [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(N(c2ccc(COC(=O)C(=C)C)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is JHMCEMUUVMVDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO4/c1-4-29(32)35-28-17-15-26(16-18-28)31(27-14-11-23-7-5-6-8-24(23)19-27)25-12-9-22(10-13-25)20-34-30(33)21(2)3/h4-19H,1-2,20H2,3H3.
What are the key properties of [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate?
[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 463.53 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 59832740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).