[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate

C20H22N2O3 — CID 23645289

IUPAC[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1N2C
InChIInChI=1S/C20H22N2O3/c1-13-6-4-5-7-16(13)21-19(23)25-14-8-9-17-15(12-14)20(2)10-11-24-18(20)22(17)3/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)/t18?,20-/m0/s1
InChIKeyAGOPIOMWLMAZHS-IJHRGXPZSA-N
MW338.41 g/mol
LogP4.06
Rot. Bonds2

About [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate

[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate (PubChem CID 23645289) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate
PubChem CID23645289
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1N2C
InChIInChI=1S/C20H22N2O3/c1-13-6-4-5-7-16(13)21-19(23)25-14-8-9-17-15(12-14)20(2)10-11-24-18(20)22(17)3/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)/t18?,20-/m0/s1
InChIKeyAGOPIOMWLMAZHS-IJHRGXPZSA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate?
The IUPAC name of [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate (CID 23645289) is [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate.
What is the SMILES notation for [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate?
The canonical SMILES for [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate is Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1N2C.
What is the InChIKey of [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate?
The InChIKey is AGOPIOMWLMAZHS-IJHRGXPZSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-6-4-5-7-16(13)21-19(23)25-14-8-9-17-15(12-14)20(2)10-11-24-18(20)22(17)3/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)/t18?,20-/m0/s1.
What are the key properties of [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate?
[(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate has a molecular weight of 338.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(2-methylphenyl)carbamate is sourced from PubChem (CID 23645289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).