tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate

C23H30N4O4 — CID 58720172

IUPACtert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
SMILESCCCc1[nH]c(C2Cc3ccccc3N2C(=O)CNC(=O)OC(C)(C)C)nc1C(C)=O
InChIInChI=1S/C23H30N4O4/c1-6-9-16-20(14(2)28)26-21(25-16)18-12-15-10-7-8-11-17(15)27(18)19(29)13-24-22(30)31-23(3,4)5/h7-8,10-11,18H,6,9,12-13H2,1-5H3,(H,24,30)(H,25,26)
InChIKeyBUXBDYDMPQJDSH-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.72
Rot. Bonds6

About tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate (PubChem CID 58720172) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
PubChem CID58720172
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nametert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
SMILESCCCc1[nH]c(C2Cc3ccccc3N2C(=O)CNC(=O)OC(C)(C)C)nc1C(C)=O
InChIInChI=1S/C23H30N4O4/c1-6-9-16-20(14(2)28)26-21(25-16)18-12-15-10-7-8-11-17(15)27(18)19(29)13-24-22(30)31-23(3,4)5/h7-8,10-11,18H,6,9,12-13H2,1-5H3,(H,24,30)(H,25,26)
InChIKeyBUXBDYDMPQJDSH-UHFFFAOYSA-N
XLogP3.72
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate (CID 58720172) is tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate is CCCc1[nH]c(C2Cc3ccccc3N2C(=O)CNC(=O)OC(C)(C)C)nc1C(C)=O.
What is the InChIKey of tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The InChIKey is BUXBDYDMPQJDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-6-9-16-20(14(2)28)26-21(25-16)18-12-15-10-7-8-11-17(15)27(18)19(29)13-24-22(30)31-23(3,4)5/h7-8,10-11,18H,6,9,12-13H2,1-5H3,(H,24,30)(H,25,26).
What are the key properties of tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate has a molecular weight of 426.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 58720172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).