ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate

C23H28N2O2 — CID 174303915

IUPACethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate
SMILESCCOC(=O)CC(CCc1c[nH]c2ccccc12)NCc1ccccc1C
InChIInChI=1S/C23H28N2O2/c1-3-27-23(26)14-20(24-15-18-9-5-4-8-17(18)2)13-12-19-16-25-22-11-7-6-10-21(19)22/h4-11,16,20,24-25H,3,12-15H2,1-2H3
InChIKeyRGPXAIUNITYMFO-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.52
Rot. Bonds9

About ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate

ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate (PubChem CID 174303915) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate
PubChem CID174303915
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Nameethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate
SMILESCCOC(=O)CC(CCc1c[nH]c2ccccc12)NCc1ccccc1C
InChIInChI=1S/C23H28N2O2/c1-3-27-23(26)14-20(24-15-18-9-5-4-8-17(18)2)13-12-19-16-25-22-11-7-6-10-21(19)22/h4-11,16,20,24-25H,3,12-15H2,1-2H3
InChIKeyRGPXAIUNITYMFO-UHFFFAOYSA-N
XLogP4.52
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
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ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
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ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
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ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
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ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
ethyl (E)-5-[2-(1H-indol-3-yl)ethylamino]-3-oxopent-4-enoate
CID 11243527
2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one
CID 22369168
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664683
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate?
The IUPAC name of ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate (CID 174303915) is ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate.
What is the SMILES notation for ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate?
The canonical SMILES for ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate is CCOC(=O)CC(CCc1c[nH]c2ccccc12)NCc1ccccc1C.
What is the InChIKey of ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate?
The InChIKey is RGPXAIUNITYMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-27-23(26)14-20(24-15-18-9-5-4-8-17(18)2)13-12-19-16-25-22-11-7-6-10-21(19)22/h4-11,16,20,24-25H,3,12-15H2,1-2H3.
What are the key properties of ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate?
ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate has a molecular weight of 364.49 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1H-indol-3-yl)-3-[(2-methylphenyl)methylamino]pentanoate is sourced from PubChem (CID 174303915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).