2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate

C24H24N2O3 — CID 144577600

IUPAC2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)OCCc3ccc(N)cc3N)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-28-22-11-8-19(9-12-22)18-5-2-17(3-6-18)4-13-24(27)29-15-14-20-7-10-21(25)16-23(20)26/h2-13,16H,14-15,25-26H2,1H3/b13-4+
InChIKeyFFUBZZFKRRVAMS-YIXHJXPBSA-N
MW388.47 g/mol
LogP4.33
Rot. Bonds7

About 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate

2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate (PubChem CID 144577600) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
PubChem CID144577600
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)OCCc3ccc(N)cc3N)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-28-22-11-8-19(9-12-22)18-5-2-17(3-6-18)4-13-24(27)29-15-14-20-7-10-21(25)16-23(20)26/h2-13,16H,14-15,25-26H2,1H3/b13-4+
InChIKeyFFUBZZFKRRVAMS-YIXHJXPBSA-N
XLogP4.33
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
CID 144577579
[4-[4-[(E)-3-[2-(2,4-diaminophenyl)ethoxy]-3-oxoprop-1-enyl]phenoxy]carbonylphenyl] 4-benzoylbenzoate
CID 90373399
[4-[3-[2-(2,4-diaminophenyl)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-ethoxycyclohexane-1-carboxylate
CID 91026534
2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl 3,5-diaminobenzoate
CID 144577578
[4-[(E)-3-[2-(2,4-diaminophenyl)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-butylcyclohexane-1-carboxylate
CID 59202609
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
2-butoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6450437
3-aminopropyl (E)-3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
CID 175106666
3-[4-[(2,4-diaminophenyl)methoxy]phenyl]prop-2-enoic acid
CID 174686439
2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl 2-methylbutanoate
CID 168837457
undec-10-enyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 100917126

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate?
The IUPAC name of 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate (CID 144577600) is 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate.
What is the SMILES notation for 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate?
The canonical SMILES for 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate is COc1ccc(-c2ccc(/C=C/C(=O)OCCc3ccc(N)cc3N)cc2)cc1.
What is the InChIKey of 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate?
The InChIKey is FFUBZZFKRRVAMS-YIXHJXPBSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-22-11-8-19(9-12-22)18-5-2-17(3-6-18)4-13-24(27)29-15-14-20-7-10-21(25)16-23(20)26/h2-13,16H,14-15,25-26H2,1H3/b13-4+.
What are the key properties of 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate?
2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate has a molecular weight of 388.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate is sourced from PubChem (CID 144577600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).