[5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate

C13H18N2O4 — CID 175536657

IUPAC[5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate
SMILESCNC(=O)C(CCCc1ccccc1O)OC(N)=O
InChIInChI=1S/C13H18N2O4/c1-15-12(17)11(19-13(14)18)8-4-6-9-5-2-3-7-10(9)16/h2-3,5,7,11,16H,4,6,8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyXHHDKHMGVURGTQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.92
Rot. Bonds6

About [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate

[5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate (PubChem CID 175536657) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate
PubChem CID175536657
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate
SMILESCNC(=O)C(CCCc1ccccc1O)OC(N)=O
InChIInChI=1S/C13H18N2O4/c1-15-12(17)11(19-13(14)18)8-4-6-9-5-2-3-7-10(9)16/h2-3,5,7,11,16H,4,6,8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyXHHDKHMGVURGTQ-UHFFFAOYSA-N
XLogP0.92
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate?
The IUPAC name of [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate (CID 175536657) is [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate.
What is the SMILES notation for [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate?
The canonical SMILES for [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate is CNC(=O)C(CCCc1ccccc1O)OC(N)=O.
What is the InChIKey of [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate?
The InChIKey is XHHDKHMGVURGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15-12(17)11(19-13(14)18)8-4-6-9-5-2-3-7-10(9)16/h2-3,5,7,11,16H,4,6,8H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate?
[5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate is sourced from PubChem (CID 175536657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).