[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate

C19H17NO4 — CID 58870921

IUPAC[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C19H17NO4/c1-13(2)19(22)24-17-10-8-16(9-11-17)23-18(21)12-5-14-3-6-15(20)7-4-14/h3-12H,1,20H2,2H3/b12-5+
InChIKeyRIUVOOACHTZHJG-LFYBBSHMSA-N
MW323.35 g/mol
LogP3.37
Rot. Bonds5

About [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate

[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate (PubChem CID 58870921) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
PubChem CID58870921
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C19H17NO4/c1-13(2)19(22)24-17-10-8-16(9-11-17)23-18(21)12-5-14-3-6-15(20)7-4-14/h3-12H,1,20H2,2H3/b12-5+
InChIKeyRIUVOOACHTZHJG-LFYBBSHMSA-N
XLogP3.37
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
(4-aminophenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 146213732
[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
CID 123192484
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 149241121
(4-aminophenyl) (E)-3-[4-[4-[(E)-3-(4-aminophenoxy)-3-oxoprop-1-enyl]benzoyl]phenyl]prop-2-enoate
CID 90399468
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
[4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 68642334
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
(4-aminophenyl) (E)-3-[4-(aminomethyl)phenyl]prop-2-enoate
CID 174578586
[6-(3-methoxy-3-oxoprop-1-enyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54241956
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 70479424
6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 100959401

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate (CID 58870921) is [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OC(=O)/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate?
The InChIKey is RIUVOOACHTZHJG-LFYBBSHMSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13(2)19(22)24-17-10-8-16(9-11-17)23-18(21)12-5-14-3-6-15(20)7-4-14/h3-12H,1,20H2,2H3/b12-5+.
What are the key properties of [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate?
[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate has a molecular weight of 323.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58870921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).