ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate

C24H30N2O2 — CID 67662616

IUPACethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate
SMILESCCOC(=O)C(C)(CCCN)c1ccc2c(ccn2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H30N2O2/c1-5-28-23(27)24(4,10-6-11-25)20-7-8-22-19(16-20)9-12-26(22)21-14-17(2)13-18(3)15-21/h7-9,12-16H,5-6,10-11,25H2,1-4H3
InChIKeyZRBOUCGMNXHUNA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.81
Rot. Bonds7

About ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate

ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate (PubChem CID 67662616) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate
PubChem CID67662616
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Nameethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate
SMILESCCOC(=O)C(C)(CCCN)c1ccc2c(ccn2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H30N2O2/c1-5-28-23(27)24(4,10-6-11-25)20-7-8-22-19(16-20)9-12-26(22)21-14-17(2)13-18(3)15-21/h7-9,12-16H,5-6,10-11,25H2,1-4H3
InChIKeyZRBOUCGMNXHUNA-UHFFFAOYSA-N
XLogP4.81
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 67665555
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
ethyl 5-amino-2-bromo-2-methylpentanoate
CID 155676836
ethyl 6-iodo-2-methyl-2-phenylhexanoate
CID 142212090
ethyl 2-(3,4-difluorophenyl)-2-methylpent-4-enoate
CID 117049214
ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate
CID 67826098
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate?
The IUPAC name of ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate (CID 67662616) is ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate.
What is the SMILES notation for ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate?
The canonical SMILES for ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate is CCOC(=O)C(C)(CCCN)c1ccc2c(ccn2-c2cc(C)cc(C)c2)c1.
What is the InChIKey of ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate?
The InChIKey is ZRBOUCGMNXHUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-5-28-23(27)24(4,10-6-11-25)20-7-8-22-19(16-20)9-12-26(22)21-14-17(2)13-18(3)15-21/h7-9,12-16H,5-6,10-11,25H2,1-4H3.
What are the key properties of ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate?
ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate has a molecular weight of 378.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate is sourced from PubChem (CID 67662616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).