tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate

C16H23NO3 — CID 99579006

IUPACtert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)[C@@H]1CCc2ccccc21
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(10-11-18)14-9-8-12-6-4-5-7-13(12)14/h4-7,14,18H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyUAIRIZUDJQAZNC-CQSZACIVSA-N
MW277.36 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate

tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate (PubChem CID 99579006) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
PubChem CID99579006
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)[C@@H]1CCc2ccccc21
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(10-11-18)14-9-8-12-6-4-5-7-13(12)14/h4-7,14,18H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyUAIRIZUDJQAZNC-CQSZACIVSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea
CID 111795145
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 111790468
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 111790521
3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790491
propan-2-yl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-prop-2-ynylcarbamate
CID 46189995
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
tert-butyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3-oxopiperazine-1-carboxylate
CID 97071912

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate (CID 99579006) is tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)[C@@H]1CCc2ccccc21.
What is the InChIKey of tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate?
The InChIKey is UAIRIZUDJQAZNC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(10-11-18)14-9-8-12-6-4-5-7-13(12)14/h4-7,14,18H,8-11H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate?
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate has a molecular weight of 277.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 99579006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).