(4-tert-butyl-2-pyridinyl)-phenylcarbamic acid

C16H18N2O2 — CID 66589408

IUPAC(4-tert-butyl-2-pyridinyl)-phenylcarbamic acid
SMILESCC(C)(C)c1ccnc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)12-9-10-17-14(11-12)18(15(19)20)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20)
InChIKeyQTGDREQNOHNSMC-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.20
Rot. Bonds2

About (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid

(4-tert-butyl-2-pyridinyl)-phenylcarbamic acid (PubChem CID 66589408) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid.

Molecular Properties

Compound Name(4-tert-butyl-2-pyridinyl)-phenylcarbamic acid
PubChem CID66589408
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(4-tert-butyl-2-pyridinyl)-phenylcarbamic acid
SMILESCC(C)(C)c1ccnc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)12-9-10-17-14(11-12)18(15(19)20)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20)
InChIKeyQTGDREQNOHNSMC-UHFFFAOYSA-N
XLogP4.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid?
The IUPAC name of (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid (CID 66589408) is (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid.
What is the SMILES notation for (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid?
The canonical SMILES for (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid is CC(C)(C)c1ccnc(N(C(=O)O)c2ccccc2)c1.
What is the InChIKey of (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid?
The InChIKey is QTGDREQNOHNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)12-9-10-17-14(11-12)18(15(19)20)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid?
(4-tert-butyl-2-pyridinyl)-phenylcarbamic acid has a molecular weight of 270.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-pyridinyl)-phenylcarbamic acid is sourced from PubChem (CID 66589408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).