2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate

C24H24N2O3 — CID 144577579

IUPAC2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)OCCc3cc(N)cc(N)c3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-28-23-9-7-20(8-10-23)19-5-2-17(3-6-19)4-11-24(27)29-13-12-18-14-21(25)16-22(26)15-18/h2-11,14-16H,12-13,25-26H2,1H3/b11-4+
InChIKeyUZZSMKBHRWUDOR-NYYWCZLTSA-N
MW388.47 g/mol
LogP4.33
Rot. Bonds7

About 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate

2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate (PubChem CID 144577579) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
PubChem CID144577579
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
SMILESCOc1ccc(-c2ccc(/C=C/C(=O)OCCc3cc(N)cc(N)c3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-28-23-9-7-20(8-10-23)19-5-2-17(3-6-19)4-11-24(27)29-13-12-18-14-21(25)16-22(26)15-18/h2-11,14-16H,12-13,25-26H2,1H3/b11-4+
InChIKeyUZZSMKBHRWUDOR-NYYWCZLTSA-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-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl 3,5-diaminobenzoate
CID 144577578
2-(2,4-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
CID 144577600
2-(3,5-diaminophenyl)ethyl (E)-3-(4-cyanatophenyl)prop-2-enoate
CID 90065998
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
1-O-[2-(3,5-diaminophenyl)ethyl] 4-O-[4-[4-(4-propylphenyl)phenyl]phenyl] (Z)-but-2-enedioate
CID 118566208
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
[4-[3-[2-(3,5-diaminophenyl)ethoxy]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-(trifluoromethoxy)benzoate
CID 77222227
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
undec-10-enyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 100917126
2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl 2-methylbutanoate
CID 168837457

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate?
The IUPAC name of 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate (CID 144577579) is 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate.
What is the SMILES notation for 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate?
The canonical SMILES for 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate is COc1ccc(-c2ccc(/C=C/C(=O)OCCc3cc(N)cc(N)c3)cc2)cc1.
What is the InChIKey of 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate?
The InChIKey is UZZSMKBHRWUDOR-NYYWCZLTSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-23-9-7-20(8-10-23)19-5-2-17(3-6-19)4-11-24(27)29-13-12-18-14-21(25)16-22(26)15-18/h2-11,14-16H,12-13,25-26H2,1H3/b11-4+.
What are the key properties of 2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate?
2-(3,5-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-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate is sourced from PubChem (CID 144577579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).