[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate

C22H27NO2 — CID 175296612

IUPAC[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)Cc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1
InChIInChI=1S/C22H27NO2/c1-14(2)11-15-5-7-16(8-6-15)17-9-10-19-18(12-17)13-22(3,4)20(19)25-21(23)24/h5-10,12,14,20H,11,13H2,1-4H3,(H2,23,24)
InChIKeyZNCFDTLHFISFIG-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.27
Rot. Bonds4

About [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate

[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296612) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296612
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)Cc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1
InChIInChI=1S/C22H27NO2/c1-14(2)11-15-5-7-16(8-6-15)17-9-10-19-18(12-17)13-22(3,4)20(19)25-21(23)24/h5-10,12,14,20H,11,13H2,1-4H3,(H2,23,24)
InChIKeyZNCFDTLHFISFIG-UHFFFAOYSA-N
XLogP5.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-1,2-diphenylbutyl carbamate
CID 219135
Fluorenylmethyl carbamate
CID 22645028
[2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)phenyl]methyl carbamate
CID 67160202
[(5-fluoro-2,3-dihydro-1H-inden-2-yl)-phenylmethyl] carbamate
CID 67160203
[2-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]phenyl]methyl carbamate
CID 67160920
[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
CID 67160921
[2-[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]phenyl]methyl carbamate
CID 67161004
[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
CID 67161006
[1-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl] carbamate
CID 155661296
[(S)-[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]-phenylmethyl] carbamate
CID 160876236
[5-[3-(Trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate
CID 174231700
[5-[4-(Trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl] carbamate
CID 174231701

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate (CID 175296612) is [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate is CC(C)Cc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1.
What is the InChIKey of [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is ZNCFDTLHFISFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-14(2)11-15-5-7-16(8-6-15)17-9-10-19-18(12-17)13-22(3,4)20(19)25-21(23)24/h5-10,12,14,20H,11,13H2,1-4H3,(H2,23,24).
What are the key properties of [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 337.46 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).