2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide

C19H22ClNO4 — CID 43000685

IUPAC2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)C(C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO4/c1-4-23-16-10-11-18(24-5-2)17(12-16)21-19(22)13(3)25-15-8-6-14(20)7-9-15/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyAZYXAXQGUVBNKS-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.54
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide

2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide (PubChem CID 43000685) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
PubChem CID43000685
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)C(C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO4/c1-4-23-16-10-11-18(24-5-2)17(12-16)21-19(22)13(3)25-15-8-6-14(20)7-9-15/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyAZYXAXQGUVBNKS-UHFFFAOYSA-N
XLogP4.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
[2-[2-(4-chlorophenoxy)propanoylamino]-4-methylphenyl] acetate
CID 17361233
N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267905
N-(5-chloro-2-methoxyphenyl)-2-(4-propylphenoxy)propanamide
CID 53265987
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
CID 112765724

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide (CID 43000685) is 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide is CCOc1ccc(OCC)c(NC(=O)C(C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide?
The InChIKey is AZYXAXQGUVBNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-4-23-16-10-11-18(24-5-2)17(12-16)21-19(22)13(3)25-15-8-6-14(20)7-9-15/h6-13H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide?
2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide has a molecular weight of 363.84 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide is sourced from PubChem (CID 43000685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).