phenyl N-(2-hydroxy-2-methylbutyl)carbamate

C12H17NO3 — CID 65110904

IUPACphenyl N-(2-hydroxy-2-methylbutyl)carbamate
SMILESCCC(C)(O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C12H17NO3/c1-3-12(2,15)9-13-11(14)16-10-7-5-4-6-8-10/h4-8,15H,3,9H2,1-2H3,(H,13,14)
InChIKeyYLXUTZSGWAKXET-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.94
Rot. Bonds4

About phenyl N-(2-hydroxy-2-methylbutyl)carbamate

phenyl N-(2-hydroxy-2-methylbutyl)carbamate (PubChem CID 65110904) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is phenyl N-(2-hydroxy-2-methylbutyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-hydroxy-2-methylbutyl)carbamate
PubChem CID65110904
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namephenyl N-(2-hydroxy-2-methylbutyl)carbamate
SMILESCCC(C)(O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C12H17NO3/c1-3-12(2,15)9-13-11(14)16-10-7-5-4-6-8-10/h4-8,15H,3,9H2,1-2H3,(H,13,14)
InChIKeyYLXUTZSGWAKXET-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
CID 103712783
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
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CID 90604967
phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
CID 104625801
phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 104862833
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
2-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 79793085
N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444
phenyl N-(3-amino-3-ethylpentyl)carbamate
CID 174465243
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-hydroxy-2-methylbutyl)carbamate?
The IUPAC name of phenyl N-(2-hydroxy-2-methylbutyl)carbamate (CID 65110904) is phenyl N-(2-hydroxy-2-methylbutyl)carbamate.
What is the SMILES notation for phenyl N-(2-hydroxy-2-methylbutyl)carbamate?
The canonical SMILES for phenyl N-(2-hydroxy-2-methylbutyl)carbamate is CCC(C)(O)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-hydroxy-2-methylbutyl)carbamate?
The InChIKey is YLXUTZSGWAKXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-12(2,15)9-13-11(14)16-10-7-5-4-6-8-10/h4-8,15H,3,9H2,1-2H3,(H,13,14).
What are the key properties of phenyl N-(2-hydroxy-2-methylbutyl)carbamate?
phenyl N-(2-hydroxy-2-methylbutyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-hydroxy-2-methylbutyl)carbamate is sourced from PubChem (CID 65110904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).