phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate

C13H19NO4 — CID 103712783

IUPACphenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
SMILESCOCCC(C)(O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C13H19NO4/c1-13(16,8-9-17-2)10-14-12(15)18-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H,14,15)
InChIKeyNVAJQMFOEPOUIL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.56
Rot. Bonds6

About phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate

phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate (PubChem CID 103712783) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
PubChem CID103712783
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namephenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
SMILESCOCCC(C)(O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C13H19NO4/c1-13(16,8-9-17-2)10-14-12(15)18-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H,14,15)
InChIKeyNVAJQMFOEPOUIL-UHFFFAOYSA-N
XLogP1.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
CID 104625801
phenyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 65110904
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylacetamide
CID 106254706
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
CID 103712714
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea
CID 95980205
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-phenylsulfanylbutanamide
CID 103712176
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate?
The IUPAC name of phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate (CID 103712783) is phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate.
What is the SMILES notation for phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate?
The canonical SMILES for phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate is COCCC(C)(O)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate?
The InChIKey is NVAJQMFOEPOUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(16,8-9-17-2)10-14-12(15)18-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H,14,15).
What are the key properties of phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate?
phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate is sourced from PubChem (CID 103712783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).