tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate

C22H24N2O3 — CID 25190809

IUPACtert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc(CCC(N)=O)cc2)cc2ccccc21
InChIInChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)24-18-7-5-4-6-17(18)14-19(24)16-11-8-15(9-12-16)10-13-20(23)25/h4-9,11-12,14H,10,13H2,1-3H3,(H2,23,25)
InChIKeyUGGWFWBEVUZUOW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.51
Rot. Bonds4

About tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate

tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate (PubChem CID 25190809) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate
PubChem CID25190809
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Nametert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc(CCC(N)=O)cc2)cc2ccccc21
InChIInChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)24-18-7-5-4-6-17(18)14-19(24)16-11-8-15(9-12-16)10-13-20(23)25/h4-9,11-12,14H,10,13H2,1-3H3,(H2,23,25)
InChIKeyUGGWFWBEVUZUOW-UHFFFAOYSA-N
XLogP4.51
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate (CID 25190809) is tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2ccc(CCC(N)=O)cc2)cc2ccccc21.
What is the InChIKey of tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate?
The InChIKey is UGGWFWBEVUZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)24-18-7-5-4-6-17(18)14-19(24)16-11-8-15(9-12-16)10-13-20(23)25/h4-9,11-12,14H,10,13H2,1-3H3,(H2,23,25).
What are the key properties of tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate?
tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]indole-1-carboxylate is sourced from PubChem (CID 25190809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).