tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate

C22H28N2O2 — CID 18331441

IUPACtert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate
SMILESCCc1ccc(N)cc1C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1
InChIInChI=1S/C22H28N2O2/c1-5-15-10-11-18(23)12-19(15)22(24-20(25)26-21(2,3)4)13-16-8-6-7-9-17(16)14-22/h6-12H,5,13-14,23H2,1-4H3,(H,24,25)
InChIKeyNSNBKUXAZCUINK-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.35
Rot. Bonds3

About tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate

tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate (PubChem CID 18331441) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate
PubChem CID18331441
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Nametert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate
SMILESCCc1ccc(N)cc1C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1
InChIInChI=1S/C22H28N2O2/c1-5-15-10-11-18(23)12-19(15)22(24-20(25)26-21(2,3)4)13-16-8-6-7-9-17(16)14-22/h6-12H,5,13-14,23H2,1-4H3,(H,24,25)
InChIKeyNSNBKUXAZCUINK-UHFFFAOYSA-N
XLogP4.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 177368501
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 165438952
methyl 7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 67806787
tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate
CID 177175531
tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
CID 164650703
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
tert-butyl N-(2,8-diethyl-3,4-dihydro-1H-naphthalen-2-yl)carbamate
CID 91156765
dimethyl 7,15-bis[(2-methylpropan-2-yl)oxycarbonylamino]tetracyclo[7.7.2.05,17.013,18]octadeca-1(17),2,4,9,11,13(18)-hexaene-7,15-dicarboxylate
CID 100949582
tert-butyl N-(2-carbamoyl-5-nitro-1,3-dihydroinden-2-yl)carbamate
CID 131730923
ethyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 68667339
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-diphenyl-1,3-dihydroindene-2-carboxylate
CID 101176422

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate (CID 18331441) is tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate is CCc1ccc(N)cc1C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1.
What is the InChIKey of tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate?
The InChIKey is NSNBKUXAZCUINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-15-10-11-18(23)12-19(15)22(24-20(25)26-21(2,3)4)13-16-8-6-7-9-17(16)14-22/h6-12H,5,13-14,23H2,1-4H3,(H,24,25).
What are the key properties of tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate?
tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate has a molecular weight of 352.48 g/mol, XLogP of 4.35, 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-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate is sourced from PubChem (CID 18331441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).