(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide

C16H22ClNO3 — CID 97252685

IUPAC(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
SMILESC[C@@H]1CC(NC(=O)[C@@H](C)Oc2ccccc2Cl)C[C@@H](C)O1
InChIInChI=1S/C16H22ClNO3/c1-10-8-13(9-11(2)20-10)18-16(19)12(3)21-15-7-5-4-6-14(15)17/h4-7,10-13H,8-9H2,1-3H3,(H,18,19)/t10-,11-,12-/m1/s1
InChIKeyPNQFKIAOLALCSC-IJLUTSLNSA-N
MW311.81 g/mol
LogP3.18
Rot. Bonds4

About (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide (PubChem CID 97252685) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
PubChem CID97252685
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
SMILESC[C@@H]1CC(NC(=O)[C@@H](C)Oc2ccccc2Cl)C[C@@H](C)O1
InChIInChI=1S/C16H22ClNO3/c1-10-8-13(9-11(2)20-10)18-16(19)12(3)21-15-7-5-4-6-14(15)17/h4-7,10-13H,8-9H2,1-3H3,(H,18,19)/t10-,11-,12-/m1/s1
InChIKeyPNQFKIAOLALCSC-IJLUTSLNSA-N
XLogP3.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide (CID 97252685) is (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide is C[C@@H]1CC(NC(=O)[C@@H](C)Oc2ccccc2Cl)C[C@@H](C)O1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide?
The InChIKey is PNQFKIAOLALCSC-IJLUTSLNSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-10-8-13(9-11(2)20-10)18-16(19)12(3)21-15-7-5-4-6-14(15)17/h4-7,10-13H,8-9H2,1-3H3,(H,18,19)/t10-,11-,12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide has a molecular weight of 311.81 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide is sourced from PubChem (CID 97252685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).