benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate

C20H22N2O4 — CID 101403228

IUPACbenzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate
SMILESCC1(C)c2ccccc2N(C(=O)CNC(=O)OCc2ccccc2)C1O
InChIInChI=1S/C20H22N2O4/c1-20(2)15-10-6-7-11-16(15)22(18(20)24)17(23)12-21-19(25)26-13-14-8-4-3-5-9-14/h3-11,18,24H,12-13H2,1-2H3,(H,21,25)
InChIKeyGSMCYVVBPZJSCE-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.56
Rot. Bonds4

About benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate

benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate (PubChem CID 101403228) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate
PubChem CID101403228
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namebenzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate
SMILESCC1(C)c2ccccc2N(C(=O)CNC(=O)OCc2ccccc2)C1O
InChIInChI=1S/C20H22N2O4/c1-20(2)15-10-6-7-11-16(15)22(18(20)24)17(23)12-21-19(25)26-13-14-8-4-3-5-9-14/h3-11,18,24H,12-13H2,1-2H3,(H,21,25)
InChIKeyGSMCYVVBPZJSCE-UHFFFAOYSA-N
XLogP2.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-(3-ethyl-4-hydroxypyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 59347253
(2S)-2,3-dimethyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 67004722
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 76746304
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
CID 71102274
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate (CID 101403228) is benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate is CC1(C)c2ccccc2N(C(=O)CNC(=O)OCc2ccccc2)C1O.
What is the InChIKey of benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate?
The InChIKey is GSMCYVVBPZJSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-20(2)15-10-6-7-11-16(15)22(18(20)24)17(23)12-21-19(25)26-13-14-8-4-3-5-9-14/h3-11,18,24H,12-13H2,1-2H3,(H,21,25).
What are the key properties of benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate?
benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 101403228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).