2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid

C18H22N2O4 — CID 151277131

IUPAC2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid
SMILESCOCCOc1ccc(-c2ccc(C(C)(C)NC(=O)O)cc2)nc1
InChIInChI=1S/C18H22N2O4/c1-18(2,20-17(21)22)14-6-4-13(5-7-14)16-9-8-15(12-19-16)24-11-10-23-3/h4-9,12,20H,10-11H2,1-3H3,(H,21,22)
InChIKeyNXOXZBUQYGADAC-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.28
Rot. Bonds7

About 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid

2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid (PubChem CID 151277131) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid
PubChem CID151277131
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid
SMILESCOCCOc1ccc(-c2ccc(C(C)(C)NC(=O)O)cc2)nc1
InChIInChI=1S/C18H22N2O4/c1-18(2,20-17(21)22)14-6-4-13(5-7-14)16-9-8-15(12-19-16)24-11-10-23-3/h4-9,12,20H,10-11H2,1-3H3,(H,21,22)
InChIKeyNXOXZBUQYGADAC-UHFFFAOYSA-N
XLogP3.28
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid?
The IUPAC name of 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid (CID 151277131) is 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid.
What is the SMILES notation for 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid?
The canonical SMILES for 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid is COCCOc1ccc(-c2ccc(C(C)(C)NC(=O)O)cc2)nc1.
What is the InChIKey of 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid?
The InChIKey is NXOXZBUQYGADAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(2,20-17(21)22)14-6-4-13(5-7-14)16-9-8-15(12-19-16)24-11-10-23-3/h4-9,12,20H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid?
2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid has a molecular weight of 330.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-methoxyethoxy)-2-pyridinyl]phenyl]propan-2-ylcarbamic acid is sourced from PubChem (CID 151277131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).