(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate

C14H21NO2 — CID 66626118

IUPAC(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)15-13(16)17-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)
InChIKeyNUDFHORTRJRYEQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.14
Rot. Bonds4

About (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate

(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate (PubChem CID 66626118) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate
PubChem CID66626118
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)15-13(16)17-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)
InChIKeyNUDFHORTRJRYEQ-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2,3-diphenyl-N-propan-2-ylpropanamide
CID 110299373
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
tert-butyl N-[(1S)-2-phenyl-1-(propan-2-ylcarbamoylamino)ethyl]carbamate
CID 177483489
(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
CID 71329533
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 177395488
(2S)-2-amino-4-methyl-6-(2-methyl-1-phenylpropan-2-yl)oxy-6-oxohexanoic acid
CID 175380023
tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
CID 10891701
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate
CID 71353605

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate?
The IUPAC name of (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate (CID 66626118) is (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)OC(C)(C)Cc1ccccc1.
What is the InChIKey of (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate?
The InChIKey is NUDFHORTRJRYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)15-13(16)17-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16).
What are the key properties of (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate?
(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 66626118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).