tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate

C18H28N2O3 — CID 103867686

IUPACtert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCC(C)(C)ONC1CCc2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C18H28N2O3/c1-17(2,3)22-16(21)19-13-8-9-14-12(11-13)7-10-15(14)20-23-18(4,5)6/h8-9,11,15,20H,7,10H2,1-6H3,(H,19,21)
InChIKeyKHNCUZNHPXCRTE-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.34
Rot. Bonds3

About tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate

tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate (PubChem CID 103867686) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate
PubChem CID103867686
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCC(C)(C)ONC1CCc2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C18H28N2O3/c1-17(2,3)22-16(21)19-13-8-9-14-12(11-13)7-10-15(14)20-23-18(4,5)6/h8-9,11,15,20H,7,10H2,1-6H3,(H,19,21)
InChIKeyKHNCUZNHPXCRTE-UHFFFAOYSA-N
XLogP4.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(oxetan-3-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103744815
tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103911992
tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103522702
tert-butyl N-[1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103731005
tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103730984
tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate
CID 113250513
tert-butyl N-[1-[(4-bromothiophen-2-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]carbamate
CID 113250522
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-(7-acetyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)carbamate
CID 168876766
5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
CID 116531106
tert-butyl N-[(8S,9S,13S,14S)-13,17-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl]carbamate
CID 130416598
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate (CID 103867686) is tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate is CC(C)(C)ONC1CCc2cc(NC(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate?
The InChIKey is KHNCUZNHPXCRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-17(2,3)22-16(21)19-13-8-9-14-12(11-13)7-10-15(14)20-23-18(4,5)6/h8-9,11,15,20H,7,10H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate?
tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate is sourced from PubChem (CID 103867686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).