tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate

C19H28N2O2 — CID 103905914

IUPACtert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CCc2ccccc21)C1CC1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-17(14-8-9-14)12-20-16-11-10-13-6-4-5-7-15(13)16/h4-7,14,16-17,20H,8-12H2,1-3H3,(H,21,22)
InChIKeyNDWKQTYYGCCCAA-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.57
Rot. Bonds5

About tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate (PubChem CID 103905914) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
PubChem CID103905914
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CCc2ccccc21)C1CC1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-17(14-8-9-14)12-20-16-11-10-13-6-4-5-7-15(13)16/h4-7,14,16-17,20H,8-12H2,1-3H3,(H,21,22)
InChIKeyNDWKQTYYGCCCAA-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
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tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate
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tert-butyl N-[1-cyclopropyl-2-[(2-fluorophenyl)methylamino]ethyl]carbamate
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3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
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tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
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tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
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tert-butyl 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidine-1-carboxylate
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tert-butyl N-[1-cyclopropyl-2-(pyridin-2-ylmethylamino)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate (CID 103905914) is tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NC(CNC1CCc2ccccc21)C1CC1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate?
The InChIKey is NDWKQTYYGCCCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-17(14-8-9-14)12-20-16-11-10-13-6-4-5-7-15(13)16/h4-7,14,16-17,20H,8-12H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate has a molecular weight of 316.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate is sourced from PubChem (CID 103905914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).