[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C24H28N2O3 — CID 2604351

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H28N2O3/c1-24(2,3)26(16-18-9-5-4-6-10-18)22(27)17-29-23(28)14-13-19-15-25-21-12-8-7-11-20(19)21/h4-12,15,25H,13-14,16-17H2,1-3H3
InChIKeyHZXOWBLBPRWBTK-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.47
Rot. Bonds7

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2604351) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2604351
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H28N2O3/c1-24(2,3)26(16-18-9-5-4-6-10-18)22(27)17-29-23(28)14-13-19-15-25-21-12-8-7-11-20(19)21/h4-12,15,25H,13-14,16-17H2,1-3H3
InChIKeyHZXOWBLBPRWBTK-UHFFFAOYSA-N
XLogP4.47
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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CID 2002
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CID 4099458
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CID 168182
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CID 442106
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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2604351) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is HZXOWBLBPRWBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(2,3)26(16-18-9-5-4-6-10-18)22(27)17-29-23(28)14-13-19-15-25-21-12-8-7-11-20(19)21/h4-12,15,25H,13-14,16-17H2,1-3H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 392.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2604351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).