(1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate

C16H25NO3 — CID 90991112

IUPAC(1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OC(C)(CO)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H25NO3/c1-15(2,3)17(5)14(19)20-16(4,12-18)11-13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3
InChIKeyJENVWDDCTOTRRC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.85
Rot. Bonds4

About (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate

(1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate (PubChem CID 90991112) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate.

Molecular Properties

Compound Name(1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate
PubChem CID90991112
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OC(C)(CO)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H25NO3/c1-15(2,3)17(5)14(19)20-16(4,12-18)11-13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3
InChIKeyJENVWDDCTOTRRC-UHFFFAOYSA-N
XLogP2.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
CID 77265757
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
(2S)-3-(4-benzoylphenyl)-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 90761368
(2-methyl-1-phenylbutan-2-yl) butanoate
CID 174407346
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
(2S)-2-benzyl-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanylpropanoic acid
CID 141159334
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
benzyl N,N-dimethylcarbamate
CID 12963450
[(2R)-2-benzyl-3-hydroxy-2-methylpropyl] acetate
CID 101384637
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 114264076
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate?
The IUPAC name of (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate (CID 90991112) is (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate.
What is the SMILES notation for (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate?
The canonical SMILES for (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate is CN(C(=O)OC(C)(CO)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate?
The InChIKey is JENVWDDCTOTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-15(2,3)17(5)14(19)20-16(4,12-18)11-13-9-7-6-8-10-13/h6-10,18H,11-12H2,1-5H3.
What are the key properties of (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate?
(1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate has a molecular weight of 279.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methyl-3-phenylpropan-2-yl) N-tert-butyl-N-methylcarbamate is sourced from PubChem (CID 90991112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).