(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate

C14H19NO4 — CID 177395488

IUPAC(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate
SMILESCC(NC(=O)OC(C)(C)CO)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(12(17)11-7-5-4-6-8-11)15-13(18)19-14(2,3)9-16/h4-8,10,16H,9H2,1-3H3,(H,15,18)
InChIKeyXUJVILQEXWMXSF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds5

About (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate

(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate (PubChem CID 177395488) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate
PubChem CID177395488
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate
SMILESCC(NC(=O)OC(C)(C)CO)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(12(17)11-7-5-4-6-8-11)15-13(18)19-14(2,3)9-16/h4-8,10,16H,9H2,1-3H3,(H,15,18)
InChIKeyXUJVILQEXWMXSF-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 139904871
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]carbamate
CID 11098288
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate
CID 66626118
tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate
CID 73172540
2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid
CID 67649747
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]carbamic acid
CID 141043389
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid
CID 67651649
benzoic acid;2,3-dimethylbutane-1,2-diol
CID 69304808
benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 101373667

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate (CID 177395488) is (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate is CC(NC(=O)OC(C)(C)CO)C(=O)c1ccccc1.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The InChIKey is XUJVILQEXWMXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(12(17)11-7-5-4-6-8-11)15-13(18)19-14(2,3)9-16/h4-8,10,16H,9H2,1-3H3,(H,15,18).
What are the key properties of (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate?
(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 177395488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).