2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide

C16H22ClNO3 — CID 6470043

IUPAC2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C16H22ClNO3/c1-10-9-13(17)6-7-14(10)21-12(3)16(19)18-11(2)15-5-4-8-20-15/h6-7,9,11-12,15H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyXKCOALSLNAEUPI-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide (PubChem CID 6470043) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
PubChem CID6470043
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C16H22ClNO3/c1-10-9-13(17)6-7-14(10)21-12(3)16(19)18-11(2)15-5-4-8-20-15/h6-7,9,11-12,15H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyXKCOALSLNAEUPI-UHFFFAOYSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.10
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-[1-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide (CID 6470043) is 2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NC(C)C1CCCO1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is XKCOALSLNAEUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-10-9-13(17)6-7-14(10)21-12(3)16(19)18-11(2)15-5-4-8-20-15/h6-7,9,11-12,15H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 311.81 g/mol, XLogP of 3.10, 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-[1-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 6470043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).