tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate

C15H20N2O3 — CID 91387270

IUPACtert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C(N)=O)CCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-14(2,3)20-13(19)17-15(12(16)18)9-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyGAEMYMABSNOYKA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate

tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate (PubChem CID 91387270) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
PubChem CID91387270
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C(N)=O)CCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-14(2,3)20-13(19)17-15(12(16)18)9-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyGAEMYMABSNOYKA-UHFFFAOYSA-N
XLogP1.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
benzyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 67850234
6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138110145
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 103718921
(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138109460
5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
CID 138110706
1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 54893156
1-(cyclopropylmethylamino)-2,3-dihydroindene-1-carboxamide
CID 60996783
2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid
CID 118482775
tert-butyl N-[(1R)-1-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-yl]carbamate
CID 102390460
tert-butyl N-[5-amino-1-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroinden-1-yl]carbamate
CID 177368559

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate?
The IUPAC name of tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate (CID 91387270) is tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate is CC(C)(C)OC(=O)NC1(C(N)=O)CCc2ccccc21.
What is the InChIKey of tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate?
The InChIKey is GAEMYMABSNOYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14(2,3)20-13(19)17-15(12(16)18)9-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate?
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate is sourced from PubChem (CID 91387270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).