2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide

C19H20ClNO3 — CID 95162921

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO3/c1-4-12-23-17-7-5-6-15(13-17)21-18(22)19(2,3)24-16-10-8-14(20)9-11-16/h4-11,13H,1,12H2,2-3H3,(H,21,22)
InChIKeyMCEFLECKQYMPMI-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.70
Rot. Bonds7

About 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide (PubChem CID 95162921) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide
PubChem CID95162921
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO3/c1-4-12-23-17-7-5-6-15(13-17)21-18(22)19(2,3)24-16-10-8-14(20)9-11-16/h4-11,13H,1,12H2,2-3H3,(H,21,22)
InChIKeyMCEFLECKQYMPMI-UHFFFAOYSA-N
XLogP4.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide (CID 95162921) is 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide is C=CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide?
The InChIKey is MCEFLECKQYMPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-4-12-23-17-7-5-6-15(13-17)21-18(22)19(2,3)24-16-10-8-14(20)9-11-16/h4-11,13H,1,12H2,2-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 95162921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).