2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid

C18H22N2O3 — CID 57165626

IUPAC2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid
SMILESCCc1cc(CCN(C(=O)O)c2ccccc2)c(OC)nc1C
InChIInChI=1S/C18H22N2O3/c1-4-14-12-15(17(23-3)19-13(14)2)10-11-20(18(21)22)16-8-6-5-7-9-16/h5-9,12H,4,10-11H2,1-3H3,(H,21,22)
InChIKeyQWCMGHKGGDAHRG-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.69
Rot. Bonds6

About 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid

2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid (PubChem CID 57165626) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid
PubChem CID57165626
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid
SMILESCCc1cc(CCN(C(=O)O)c2ccccc2)c(OC)nc1C
InChIInChI=1S/C18H22N2O3/c1-4-14-12-15(17(23-3)19-13(14)2)10-11-20(18(21)22)16-8-6-5-7-9-16/h5-9,12H,4,10-11H2,1-3H3,(H,21,22)
InChIKeyQWCMGHKGGDAHRG-UHFFFAOYSA-N
XLogP3.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid?
The IUPAC name of 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid (CID 57165626) is 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid.
What is the SMILES notation for 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid?
The canonical SMILES for 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid is CCc1cc(CCN(C(=O)O)c2ccccc2)c(OC)nc1C.
What is the InChIKey of 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid?
The InChIKey is QWCMGHKGGDAHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-14-12-15(17(23-3)19-13(14)2)10-11-20(18(21)22)16-8-6-5-7-9-16/h5-9,12H,4,10-11H2,1-3H3,(H,21,22).
What are the key properties of 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid?
2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid has a molecular weight of 314.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid is sourced from PubChem (CID 57165626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).