tert-butyl N-(3H-indol-2-ylmethyl)carbamate

C14H18N2O2 — CID 158414573

IUPACtert-butyl N-(3H-indol-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1=Nc2ccccc2C1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyPSAAYWLCXZWTNH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.84
Rot. Bonds2

About tert-butyl N-(3H-indol-2-ylmethyl)carbamate

tert-butyl N-(3H-indol-2-ylmethyl)carbamate (PubChem CID 158414573) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-(3H-indol-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3H-indol-2-ylmethyl)carbamate
PubChem CID158414573
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nametert-butyl N-(3H-indol-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1=Nc2ccccc2C1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyPSAAYWLCXZWTNH-UHFFFAOYSA-N
XLogP2.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
CID 157342432
tert-butyl N-[(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]carbamate
CID 165066917
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate
CID 147440209
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
CID 117274297
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
tert-butyl N-[(1-tert-butyl-1,3-dihydroisoindol-2-yl)methyl]carbamate
CID 141378342
tert-butyl N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 110456704
tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
CID 52903782
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3H-indol-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(3H-indol-2-ylmethyl)carbamate (CID 158414573) is tert-butyl N-(3H-indol-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(3H-indol-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(3H-indol-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1=Nc2ccccc2C1.
What is the InChIKey of tert-butyl N-(3H-indol-2-ylmethyl)carbamate?
The InChIKey is PSAAYWLCXZWTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7H,8-9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(3H-indol-2-ylmethyl)carbamate?
tert-butyl N-(3H-indol-2-ylmethyl)carbamate has a molecular weight of 246.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3H-indol-2-ylmethyl)carbamate is sourced from PubChem (CID 158414573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).