tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate

C30H34N2O2 — CID 134150737

IUPACtert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate
SMILESCn1cc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C30H34N2O2/c1-30(2,3)34-29(33)32(21-19-26-22-31(4)28-13-9-8-12-27(26)28)20-18-23-14-16-25(17-15-23)24-10-6-5-7-11-24/h5-17,22H,18-21H2,1-4H3
InChIKeyXLPLORHOUVFUDV-UHFFFAOYSA-N
MW454.61 g/mol
LogP6.87
Rot. Bonds7

About tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate

tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate (PubChem CID 134150737) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate
PubChem CID134150737
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Nametert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate
SMILESCn1cc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C30H34N2O2/c1-30(2,3)34-29(33)32(21-19-26-22-31(4)28-13-9-8-12-27(26)28)20-18-23-14-16-25(17-15-23)24-10-6-5-7-11-24/h5-17,22H,18-21H2,1-4H3
InChIKeyXLPLORHOUVFUDV-UHFFFAOYSA-N
XLogP6.87
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate 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 N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate (CID 134150737) is tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate is Cn1cc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate?
The InChIKey is XLPLORHOUVFUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-30(2,3)34-29(33)32(21-19-26-22-31(4)28-13-9-8-12-27(26)28)20-18-23-14-16-25(17-15-23)24-10-6-5-7-11-24/h5-17,22H,18-21H2,1-4H3.
What are the key properties of tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate?
tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate has a molecular weight of 454.61 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-methylindol-3-yl)ethyl]-N-[2-(4-phenylphenyl)ethyl]carbamate is sourced from PubChem (CID 134150737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).