benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate

C14H21NO3 — CID 131182059

IUPACbenzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
SMILESCC(CC(C)(C)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(9-14(2,3)17)15-13(16)18-10-12-7-5-4-6-8-12/h4-8,11,17H,9-10H2,1-3H3,(H,15,16)
InChIKeyQEWWMFRIEWUTKG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.46
Rot. Bonds5

About benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate

benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate (PubChem CID 131182059) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
PubChem CID131182059
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namebenzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
SMILESCC(CC(C)(C)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(9-14(2,3)17)15-13(16)18-10-12-7-5-4-6-8-12/h4-8,11,17H,9-10H2,1-3H3,(H,15,16)
InChIKeyQEWWMFRIEWUTKG-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11631115
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
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benzyl N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate;formic acid
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CID 50916610
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate
CID 18380110

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate?
The IUPAC name of benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate (CID 131182059) is benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate is CC(CC(C)(C)O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate?
The InChIKey is QEWWMFRIEWUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(9-14(2,3)17)15-13(16)18-10-12-7-5-4-6-8-12/h4-8,11,17H,9-10H2,1-3H3,(H,15,16).
What are the key properties of benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate?
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate is sourced from PubChem (CID 131182059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).