[1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate

C19H23ClN2O3 — CID 164562669

IUPAC[1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate
SMILESCCC(O)(c1ccc(Cl)cc1)c1ncccc1CC(C)(C)OC(N)=O
InChIInChI=1S/C19H23ClN2O3/c1-4-19(24,14-7-9-15(20)10-8-14)16-13(6-5-11-22-16)12-18(2,3)25-17(21)23/h5-11,24H,4,12H2,1-3H3,(H2,21,23)
InChIKeyTURJMJWXQYIIIR-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.80
Rot. Bonds6

About [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate

[1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate (PubChem CID 164562669) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate
PubChem CID164562669
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name[1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate
SMILESCCC(O)(c1ccc(Cl)cc1)c1ncccc1CC(C)(C)OC(N)=O
InChIInChI=1S/C19H23ClN2O3/c1-4-19(24,14-7-9-15(20)10-8-14)16-13(6-5-11-22-16)12-18(2,3)25-17(21)23/h5-11,24H,4,12H2,1-3H3,(H2,21,23)
InChIKeyTURJMJWXQYIIIR-UHFFFAOYSA-N
XLogP3.80
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate (CID 164562669) is [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate is CCC(O)(c1ccc(Cl)cc1)c1ncccc1CC(C)(C)OC(N)=O.
What is the InChIKey of [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is TURJMJWXQYIIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-4-19(24,14-7-9-15(20)10-8-14)16-13(6-5-11-22-16)12-18(2,3)25-17(21)23/h5-11,24H,4,12H2,1-3H3,(H2,21,23).
What are the key properties of [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate?
[1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 362.86 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 164562669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).