tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate

C20H28N2O4 — CID 22414859

IUPACtert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate
SMILESCc1cc2c(c3c1NC(=O)C3(C)C)OC(C)(CNC(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H28N2O4/c1-11-8-12-9-20(7,10-21-17(24)26-18(2,3)4)25-15(12)13-14(11)22-16(23)19(13,5)6/h8H,9-10H2,1-7H3,(H,21,24)(H,22,23)
InChIKeyKOKAYVSZOHGKDB-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.44
Rot. Bonds2

About tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate

tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate (PubChem CID 22414859) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate
PubChem CID22414859
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nametert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate
SMILESCc1cc2c(c3c1NC(=O)C3(C)C)OC(C)(CNC(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H28N2O4/c1-11-8-12-9-20(7,10-21-17(24)26-18(2,3)4)25-15(12)13-14(11)22-16(23)19(13,5)6/h8H,9-10H2,1-7H3,(H,21,24)(H,22,23)
InChIKeyKOKAYVSZOHGKDB-UHFFFAOYSA-N
XLogP3.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]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-[[(4R)-4-(4-methyl-1,2-oxazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 175802307
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[[4-(4-methyl-1,2-oxazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 156688901
tert-butyl N-[[3-oxo-1-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 91647554
tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 102545706
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
tert-butyl N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]carbamate
CID 67259861
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-3-yl]acetic acid
CID 82379017
tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
CID 122608960
tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
CID 164643510
tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
CID 117274696
tert-butyl N-[3-methyl-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]butyl]carbamate
CID 107442879

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate (CID 22414859) is tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate is Cc1cc2c(c3c1NC(=O)C3(C)C)OC(C)(CNC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate?
The InChIKey is KOKAYVSZOHGKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-11-8-12-9-20(7,10-21-17(24)26-18(2,3)4)25-15(12)13-14(11)22-16(23)19(13,5)6/h8H,9-10H2,1-7H3,(H,21,24)(H,22,23).
What are the key properties of tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate?
tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate has a molecular weight of 360.45 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2,5,8,8-tetramethyl-7-oxo-3,6-dihydrofuro[2,3-e]indol-2-yl)methyl]carbamate is sourced from PubChem (CID 22414859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).