tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate

C18H28N2O3 — CID 103911992

IUPACtert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCC(CCO)NC1CCc2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C18H28N2O3/c1-12(9-10-21)19-16-8-5-13-11-14(6-7-15(13)16)20-17(22)23-18(2,3)4/h6-7,11-12,16,19,21H,5,8-10H2,1-4H3,(H,20,22)
InChIKeyCLSBMDJIZDLCQE-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.38
Rot. Bonds5

About tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate

tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate (PubChem CID 103911992) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
PubChem CID103911992
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCC(CCO)NC1CCc2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C18H28N2O3/c1-12(9-10-21)19-16-8-5-13-11-14(6-7-15(13)16)20-17(22)23-18(2,3)4/h6-7,11-12,16,19,21H,5,8-10H2,1-4H3,(H,20,22)
InChIKeyCLSBMDJIZDLCQE-UHFFFAOYSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate (CID 103911992) is tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate is CC(CCO)NC1CCc2cc(NC(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The InChIKey is CLSBMDJIZDLCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(9-10-21)19-16-8-5-13-11-14(6-7-15(13)16)20-17(22)23-18(2,3)4/h6-7,11-12,16,19,21H,5,8-10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate is sourced from PubChem (CID 103911992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).