benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate

C19H21NO2 — CID 145156063

IUPACbenzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
SMILESCc1ccc2c(c1)C(C)(NC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C19H21NO2/c1-14-8-9-16-10-11-19(2,17(16)12-14)20-18(21)22-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyGJHNPSRWFBCXCI-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.08
Rot. Bonds3

About benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate

benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate (PubChem CID 145156063) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
PubChem CID145156063
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
SMILESCc1ccc2c(c1)C(C)(NC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C19H21NO2/c1-14-8-9-16-10-11-19(2,17(16)12-14)20-18(21)22-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyGJHNPSRWFBCXCI-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273
benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 67850234
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 145156027
[(3S)-3-methyl-3-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid
CID 122514592
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
methyl 4-(phenylmethoxycarbonylamino)bicyclo[2.2.1]heptane-1-carboxylate
CID 57467426
ethyl 3-oxo-3-[1-(phenylmethoxycarbonylamino)cyclopropyl]propanoate
CID 134181852
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
benzyl N-(4-methylphenyl)sulfanylcarbamate
CID 176654610
ethyl 4-methyl-2-[(5S)-5-(phenylmethoxycarbonylamino)-2H-furan-5-yl]benzenesulfonate
CID 87687113

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate?
The IUPAC name of benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate (CID 145156063) is benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate.
What is the SMILES notation for benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate?
The canonical SMILES for benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate is Cc1ccc2c(c1)C(C)(NC(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate?
The InChIKey is GJHNPSRWFBCXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-8-9-16-10-11-19(2,17(16)12-14)20-18(21)22-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate?
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate has a molecular weight of 295.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate is sourced from PubChem (CID 145156063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).