tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate

C15H22N2O2 — CID 40546938

IUPACtert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@@H]1CNc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,11,17H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyZEQWYBCGYJDKQN-LLVKDONJSA-N
MW262.35 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate

tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate (PubChem CID 40546938) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
PubChem CID40546938
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@@H]1CNc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,11,17H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyZEQWYBCGYJDKQN-LLVKDONJSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 103019631
tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate
CID 95241558
tert-butyl N-[(4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CID 54593034
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide
CID 107176784
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 24700732
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
CID 43125233
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24709286
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide
CID 24709751
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methylpiperidine-1-carboxamide
CID 79158396
ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate
CID 114463228
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate (CID 40546938) is tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCC[C@@H]1CNc2ccccc21.
What is the InChIKey of tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is ZEQWYBCGYJDKQN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,11,17H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 40546938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).