[2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate

C13H18N2O6 — CID 54127627

IUPAC[2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate
SMILESCc1ccc(C(O)COC(N)=O)cc1C(O)COC(N)=O
InChIInChI=1S/C13H18N2O6/c1-7-2-3-8(10(16)5-20-12(14)18)4-9(7)11(17)6-21-13(15)19/h2-4,10-11,16-17H,5-6H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyNSCJCJYPPBHABP-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.25
Rot. Bonds6

About [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate

[2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate (PubChem CID 54127627) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate.

Molecular Properties

Compound Name[2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate
PubChem CID54127627
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name[2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate
SMILESCc1ccc(C(O)COC(N)=O)cc1C(O)COC(N)=O
InChIInChI=1S/C13H18N2O6/c1-7-2-3-8(10(16)5-20-12(14)18)4-9(7)11(17)6-21-13(15)19/h2-4,10-11,16-17H,5-6H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyNSCJCJYPPBHABP-UHFFFAOYSA-N
XLogP0.25
TPSA145.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate
CID 175494072
[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate
CID 67826417
4-(2,5-dimethylphenyl)-4-hydroxybutanamide
CID 82112992
[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
CID 174288850
[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
[3-[3-[3-carbamoyloxy-1-[dimethoxy(methyl)silyl]propyl]-4-methylphenyl]-3-[dimethoxy(methyl)silyl]propyl] carbamate
CID 54039450
3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide
CID 109416412
5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
CID 112510105
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 104564698
4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
CID 112510486

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate?
The IUPAC name of [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate (CID 54127627) is [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate.
What is the SMILES notation for [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate?
The canonical SMILES for [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate is Cc1ccc(C(O)COC(N)=O)cc1C(O)COC(N)=O.
What is the InChIKey of [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate?
The InChIKey is NSCJCJYPPBHABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-7-2-3-8(10(16)5-20-12(14)18)4-9(7)11(17)6-21-13(15)19/h2-4,10-11,16-17H,5-6H2,1H3,(H2,14,18)(H2,15,19).
What are the key properties of [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate?
[2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate has a molecular weight of 298.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-carbamoyloxy-1-hydroxyethyl)-4-methylphenyl]-2-hydroxyethyl] carbamate is sourced from PubChem (CID 54127627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).