ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate

C22H26N2O2 — CID 134864756

IUPACethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate
SMILESCCOC(=O)C(NCc1ccccc1)c1c(C(C)C)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O2/c1-4-26-22(25)21(23-14-16-10-6-5-7-11-16)19-17-12-8-9-13-18(17)24-20(19)15(2)3/h5-13,15,21,23-24H,4,14H2,1-3H3
InChIKeyJRCSBYHMSIKTSE-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.69
Rot. Bonds7

About ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate

ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate (PubChem CID 134864756) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate
PubChem CID134864756
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Nameethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate
SMILESCCOC(=O)C(NCc1ccccc1)c1c(C(C)C)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O2/c1-4-26-22(25)21(23-14-16-10-6-5-7-11-16)19-17-12-8-9-13-18(17)24-20(19)15(2)3/h5-13,15,21,23-24H,4,14H2,1-3H3
InChIKeyJRCSBYHMSIKTSE-UHFFFAOYSA-N
XLogP4.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(2-benzyl-1H-indol-3-yl)acetic acid
CID 57263859
ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate
CID 60992016
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
N-benzylethanamine;diethyl 2-methylpropanedioate
CID 142885461
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
ethyl (2R,3R)-3-(benzylamino)-2-methyl-3-phenylpropanoate
CID 100975099
2,3-di(propan-2-yl)-1H-indole
CID 15398122
diethyl (2S)-2-(benzylamino)butanedioate
CID 124630136
ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate
CID 10956302
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788
ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate
CID 64669138

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate (CID 134864756) is ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate is CCOC(=O)C(NCc1ccccc1)c1c(C(C)C)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate?
The InChIKey is JRCSBYHMSIKTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-26-22(25)21(23-14-16-10-6-5-7-11-16)19-17-12-8-9-13-18(17)24-20(19)15(2)3/h5-13,15,21,23-24H,4,14H2,1-3H3.
What are the key properties of ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate?
ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate has a molecular weight of 350.46 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate is sourced from PubChem (CID 134864756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).