ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate

C24H26N2O2 — CID 122369672

IUPACethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate
SMILESC=CCN(CC=C)c1ccc(C(C(=O)OCC)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H26N2O2/c1-4-15-26(16-5-2)19-13-11-18(12-14-19)23(24(27)28-6-3)21-17-25-22-10-8-7-9-20(21)22/h4-5,7-14,17,23,25H,1-2,6,15-16H2,3H3
InChIKeyHWGDWDHIQKRCRX-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.04
Rot. Bonds9

About ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate

ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate (PubChem CID 122369672) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate
PubChem CID122369672
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Nameethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate
SMILESC=CCN(CC=C)c1ccc(C(C(=O)OCC)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H26N2O2/c1-4-15-26(16-5-2)19-13-11-18(12-14-19)23(24(27)28-6-3)21-17-25-22-10-8-7-9-20(21)22/h4-5,7-14,17,23,25H,1-2,6,15-16H2,3H3
InChIKeyHWGDWDHIQKRCRX-UHFFFAOYSA-N
XLogP5.04
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1H-indol-3-yl)-2-(4-piperazin-1-ylphenyl)acetate
CID 156772148
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
ethyl 2-(1H-indol-3-yl)-4-oxobutanoate
CID 75252498
diethyl 2-[(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]propanedioate
CID 40525406
ethyl 3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
CID 4527747
diethyl 2-[1H-indol-3-yl-(4-methoxyphenyl)methyl]propanedioate
CID 102108904
diethyl 2-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]propanedioate
CID 102476923
1-O-ethyl 3-O-methyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]propanedioate
CID 2036724
diethyl 2-[(R)-(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedioate
CID 11153804
ethyl (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propanoate
CID 171245503
diethyl 2-[(3-chlorophenyl)-(1H-indol-3-yl)methyl]propanedioate
CID 101463414

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate (CID 122369672) is ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate is C=CCN(CC=C)c1ccc(C(C(=O)OCC)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate?
The InChIKey is HWGDWDHIQKRCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-15-26(16-5-2)19-13-11-18(12-14-19)23(24(27)28-6-3)21-17-25-22-10-8-7-9-20(21)22/h4-5,7-14,17,23,25H,1-2,6,15-16H2,3H3.
What are the key properties of ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate?
ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate has a molecular weight of 374.48 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[bis(prop-2-enyl)amino]phenyl]-2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 122369672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).