tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate

C22H26N2O3 — CID 21071678

IUPACtert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C22H26N2O3/c1-22(2,3)27-21(25)23-12-11-17-14-24-20-13-18(9-10-19(17)20)26-15-16-7-5-4-6-8-16/h4-10,13-14,24H,11-12,15H2,1-3H3,(H,23,25)
InChIKeyBXEGIFOAVKSFIQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.81
Rot. Bonds6

About tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate

tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 21071678) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID21071678
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nametert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C22H26N2O3/c1-22(2,3)27-21(25)23-12-11-17-14-24-20-13-18(9-10-19(17)20)26-15-16-7-5-4-6-8-16/h4-10,13-14,24H,11-12,15H2,1-3H3,(H,23,25)
InChIKeyBXEGIFOAVKSFIQ-UHFFFAOYSA-N
XLogP4.81
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)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

Related Compounds

N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 84580289
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
CID 57379273
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
CID 70053183
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate (CID 21071678) is tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1c[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is BXEGIFOAVKSFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)27-21(25)23-12-11-17-14-24-20-13-18(9-10-19(17)20)26-15-16-7-5-4-6-8-16/h4-10,13-14,24H,11-12,15H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 21071678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).