tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate

C14H18N2O2 — CID 134485440

IUPACtert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
SMILESCc1cc2c(NC(=O)OC(C)(C)C)cccc2[nH]1
InChIInChI=1S/C14H18N2O2/c1-9-8-10-11(15-9)6-5-7-12(10)16-13(17)18-14(2,3)4/h5-8,15H,1-4H3,(H,16,17)
InChIKeyBOSBKNIRCHKUSH-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.82
Rot. Bonds1

About tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate

tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate (PubChem CID 134485440) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
PubChem CID134485440
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nametert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
SMILESCc1cc2c(NC(=O)OC(C)(C)C)cccc2[nH]1
InChIInChI=1S/C14H18N2O2/c1-9-8-10-11(15-9)6-5-7-12(10)16-13(17)18-14(2,3)4/h5-8,15H,1-4H3,(H,16,17)
InChIKeyBOSBKNIRCHKUSH-UHFFFAOYSA-N
XLogP3.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(2-methyl-1H-indol-4-yl)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

tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate
CID 69185299
4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one
CID 71834899
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-(1-aminoindol-4-yl)carbamate
CID 58607316
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(1-benzothiophen-4-yl)carbamate
CID 18542532
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylate
CID 142499829
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
N-(2-tert-butyl-1H-indol-4-yl)-3-chloropropanamide
CID 90244956

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate (CID 134485440) is tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate is Cc1cc2c(NC(=O)OC(C)(C)C)cccc2[nH]1.
What is the InChIKey of tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate?
The InChIKey is BOSBKNIRCHKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-8-10-11(15-9)6-5-7-12(10)16-13(17)18-14(2,3)4/h5-8,15H,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate?
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate has a molecular weight of 246.31 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate is sourced from PubChem (CID 134485440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).