tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate

C16H23NO3 — CID 139469615

IUPACtert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate
SMILESCN(CC1CC1c1ccccc1O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(4)10-11-9-13(11)12-7-5-6-8-14(12)18/h5-8,11,13,18H,9-10H2,1-4H3
InChIKeyFIRJANOWYKZLON-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.36
Rot. Bonds3

About tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate

tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate (PubChem CID 139469615) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate
PubChem CID139469615
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate
SMILESCN(CC1CC1c1ccccc1O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(4)10-11-9-13(11)12-7-5-6-8-14(12)18/h5-8,11,13,18H,9-10H2,1-4H3
InChIKeyFIRJANOWYKZLON-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[(1S,4S)-4-fluoro-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylcarbamate
CID 140841214
tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate
CID 171469689
tert-butyl N-[[(1R)-5-chloro-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylcarbamate
CID 134215152
tert-butyl N-[(6-bromo-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-N-methylcarbamate
CID 137460512
tert-butyl N-[(8-fluoro-4-hydroxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-N-methylcarbamate
CID 142753049
tert-butyl N-methyl-N-[(2-phenyloxiran-2-yl)methyl]carbamate
CID 54983204
tert-butyl N-[[5-(2-bromoacetyl)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylcarbamate
CID 137477392
tert-butyl N-(5H-[1,5]benzodioxepino[4,3-c]pyridin-5-ylmethyl)-N-methylcarbamate
CID 165410406
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate
CID 18345112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate (CID 139469615) is tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate is CN(CC1CC1c1ccccc1O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate?
The InChIKey is FIRJANOWYKZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17(4)10-11-9-13(11)12-7-5-6-8-14(12)18/h5-8,11,13,18H,9-10H2,1-4H3.
What are the key properties of tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate?
tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate has a molecular weight of 277.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 139469615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).