2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide

C15H20ClNO3 — CID 2867136

IUPAC2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCC1CCCO1
InChIInChI=1S/C15H20ClNO3/c1-10-8-12(16)5-6-14(10)20-11(2)15(18)17-9-13-4-3-7-19-13/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyTYGRIAGJNRUJDF-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2867136) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2867136
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCC1CCCO1
InChIInChI=1S/C15H20ClNO3/c1-10-8-12(16)5-6-14(10)20-11(2)15(18)17-9-13-4-3-7-19-13/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyTYGRIAGJNRUJDF-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide (CID 2867136) is 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCC1CCCO1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is TYGRIAGJNRUJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-8-12(16)5-6-14(10)20-11(2)15(18)17-9-13-4-3-7-19-13/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 297.78 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2867136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).