[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C22H27NO2 — CID 175497922

IUPAC[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3OC(N)=O)cc1
InChIInChI=1S/C22H27NO2/c1-21(2,3)17-9-6-14(7-10-17)15-8-11-18-16(12-15)13-22(4,5)19(18)25-20(23)24/h6-12,19H,13H2,1-5H3,(H2,23,24)/t19-/m0/s1
InChIKeyLRMGAXYKFROEHM-IBGZPJMESA-N
MW337.46 g/mol
LogP5.37
Rot. Bonds2

About [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175497922) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175497922
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3OC(N)=O)cc1
InChIInChI=1S/C22H27NO2/c1-21(2,3)17-9-6-14(7-10-17)15-8-11-18-16(12-15)13-22(4,5)19(18)25-20(23)24/h6-12,19H,13H2,1-5H3,(H2,23,24)/t19-/m0/s1
InChIKeyLRMGAXYKFROEHM-IBGZPJMESA-N
XLogP5.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175497922) is [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CC(C)(C)c1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3OC(N)=O)cc1.
What is the InChIKey of [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is LRMGAXYKFROEHM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27NO2/c1-21(2,3)17-9-6-14(7-10-17)15-8-11-18-16(12-15)13-22(4,5)19(18)25-20(23)24/h6-12,19H,13H2,1-5H3,(H2,23,24)/t19-/m0/s1.
What are the key properties of [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 337.46 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175497922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).