tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate

C16H25NO3 — CID 106507429

IUPACtert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate
SMILESCc1ccccc1C(C)(CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO3/c1-12-8-6-7-9-13(12)16(5,11-18)10-17-14(19)20-15(2,3)4/h6-9,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyPNQQIMZQVWMGEO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.77
Rot. Bonds4

About tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate

tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate (PubChem CID 106507429) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate
PubChem CID106507429
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate
SMILESCc1ccccc1C(C)(CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO3/c1-12-8-6-7-9-13(12)16(5,11-18)10-17-14(19)20-15(2,3)4/h6-9,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyPNQQIMZQVWMGEO-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(hydroxymethyl)-2-(2-methylphenyl)butyl]carbamate
CID 106507423
tert-butyl N-[2-(hydroxymethyl)-4-methyl-2-(2-methylphenyl)pentyl]carbamate
CID 106507424
2-cyclopropyl-2-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106509187
tert-butyl N-[2-(2-fluorophenyl)-2-(hydroxymethyl)-4-methoxybutyl]carbamate
CID 106507148
tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 84730383
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[2-[2-[(2-methylbenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537173
tert-butyl N-[2-(2-chlorophenyl)-2-methyl-3-oxopropyl]carbamate
CID 84731006
tert-butyl N-[2-(hydroxymethyl)-2-phenylhexyl]carbamate
CID 106508166
tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
CID 154779852
tert-butyl N-[2-[(3,4-dimethylphenyl)methyl]-2-(hydroxymethyl)butyl]carbamate
CID 106508415
tert-butyl N-(anilinomethyl)carbamate
CID 87555144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate (CID 106507429) is tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate is Cc1ccccc1C(C)(CO)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate?
The InChIKey is PNQQIMZQVWMGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-8-6-7-9-13(12)16(5,11-18)10-17-14(19)20-15(2,3)4/h6-9,18H,10-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate?
tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate is sourced from PubChem (CID 106507429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).