(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate

C22H20N2O2 — CID 145084883

IUPAC(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate
SMILESC/C(=C\c1ccc(-c2ccc(N)cc2)cc1)C(=O)Oc1ccc(N)cc1
InChIInChI=1S/C22H20N2O2/c1-15(22(25)26-21-12-10-20(24)11-13-21)14-16-2-4-17(5-3-16)18-6-8-19(23)9-7-18/h2-14H,23-24H2,1H3/b15-14+
InChIKeyFSWMXZNORVFPGV-CCEZHUSRSA-N
MW344.41 g/mol
LogP4.53
Rot. Bonds4

About (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate

(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate (PubChem CID 145084883) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate
PubChem CID145084883
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate
SMILESC/C(=C\c1ccc(-c2ccc(N)cc2)cc1)C(=O)Oc1ccc(N)cc1
InChIInChI=1S/C22H20N2O2/c1-15(22(25)26-21-12-10-20(24)11-13-21)14-16-2-4-17(5-3-16)18-6-8-19(23)9-7-18/h2-14H,23-24H2,1H3/b15-14+
InChIKeyFSWMXZNORVFPGV-CCEZHUSRSA-N
XLogP4.53
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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

phenyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 174899385
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl] (E)-2-methylbut-2-enoate
CID 73426848
3-(4-carbamoyloxyphenyl)-2-methylprop-2-enoic acid
CID 123813145
[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
CID 58870921
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 131745000
(4-aminophenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 146213732
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 149241121
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
[4-[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 123740075
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
methyl (E)-3-(4-aminophenyl)-2-methylprop-2-enoate;(E)-2-methyl-3-(4-nitrophenyl)prop-2-enoic acid
CID 158427747

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate?
The IUPAC name of (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate (CID 145084883) is (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate.
What is the SMILES notation for (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate?
The canonical SMILES for (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate is C/C(=C\c1ccc(-c2ccc(N)cc2)cc1)C(=O)Oc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate?
The InChIKey is FSWMXZNORVFPGV-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15(22(25)26-21-12-10-20(24)11-13-21)14-16-2-4-17(5-3-16)18-6-8-19(23)9-7-18/h2-14H,23-24H2,1H3/b15-14+.
What are the key properties of (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate?
(4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) (E)-3-[4-(4-aminophenyl)phenyl]-2-methylprop-2-enoate is sourced from PubChem (CID 145084883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).