tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate

C17H25NO2 — CID 71098528

IUPACtert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCCCc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C17H25NO2/c1-5-6-12-7-8-13-10-15(11-14(13)9-12)18-16(19)20-17(2,3)4/h7-9,15H,5-6,10-11H2,1-4H3,(H,18,19)
InChIKeyGZMLOIOEKXQRPI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.63
Rot. Bonds3

About tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate

tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate (PubChem CID 71098528) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate
PubChem CID71098528
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCCCc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C17H25NO2/c1-5-6-12-7-8-13-10-15(11-14(13)9-12)18-16(19)20-17(2,3)4/h7-9,15H,5-6,10-11H2,1-4H3,(H,18,19)
InChIKeyGZMLOIOEKXQRPI-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate
CID 154687251
tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 59486441
tert-butyl N-[5-(benzylcarbamoyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 22719645
tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 67920486
tert-butyl N-[6-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 57234940
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
ethyl 2-[[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
CID 11494280
2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
tert-butyl N-(4-fluoro-5-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 147682184
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate (CID 71098528) is tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate is CCCc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate?
The InChIKey is GZMLOIOEKXQRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-6-12-7-8-13-10-15(11-14(13)9-12)18-16(19)20-17(2,3)4/h7-9,15H,5-6,10-11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate?
tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate is sourced from PubChem (CID 71098528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).