1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid

C18H22N2O2 — CID 68975555

IUPAC1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid
SMILESCCCCC(Cc1ccc(-c2ccccn2)cc1)NC(=O)O
InChIInChI=1S/C18H22N2O2/c1-2-3-6-16(20-18(21)22)13-14-8-10-15(11-9-14)17-7-4-5-12-19-17/h4-5,7-12,16,20H,2-3,6,13H2,1H3,(H,21,22)
InChIKeyOSPFIRFRUFWXHG-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.12
Rot. Bonds7

About 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid

1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid (PubChem CID 68975555) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid
PubChem CID68975555
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid
SMILESCCCCC(Cc1ccc(-c2ccccn2)cc1)NC(=O)O
InChIInChI=1S/C18H22N2O2/c1-2-3-6-16(20-18(21)22)13-14-8-10-15(11-9-14)17-7-4-5-12-19-17/h4-5,7-12,16,20H,2-3,6,13H2,1H3,(H,21,22)
InChIKeyOSPFIRFRUFWXHG-UHFFFAOYSA-N
XLogP4.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid?
The IUPAC name of 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid (CID 68975555) is 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid.
What is the SMILES notation for 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid?
The canonical SMILES for 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid is CCCCC(Cc1ccc(-c2ccccn2)cc1)NC(=O)O.
What is the InChIKey of 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid?
The InChIKey is OSPFIRFRUFWXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-3-6-16(20-18(21)22)13-14-8-10-15(11-9-14)17-7-4-5-12-19-17/h4-5,7-12,16,20H,2-3,6,13H2,1H3,(H,21,22).
What are the key properties of 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid?
1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid has a molecular weight of 298.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid is sourced from PubChem (CID 68975555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).