2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate

C14H19NO3 — CID 61367021

IUPAC2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCC(C)COC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C14H19NO3/c1-9(2)8-18-14(17)15-13-11-6-4-3-5-10(11)7-12(13)16/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyBLBLVKBKTVOORZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds3

About 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate

2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate (PubChem CID 61367021) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
PubChem CID61367021
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCC(C)COC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C14H19NO3/c1-9(2)8-18-14(17)15-13-11-6-4-3-5-10(11)7-12(13)16/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyBLBLVKBKTVOORZ-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 15896226
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
5-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107221816
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide
CID 103862985
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
5-amino-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 77313664

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate (CID 61367021) is 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate is CC(C)COC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate?
The InChIKey is BLBLVKBKTVOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)8-18-14(17)15-13-11-6-4-3-5-10(11)7-12(13)16/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate?
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate is sourced from PubChem (CID 61367021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).