2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide

C19H21NO3 — CID 17086700

IUPAC2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1
InChIInChI=1S/C19H21NO3/c1-4-12-22-18-7-5-6-16(13-18)20-19(21)15(3)23-17-10-8-14(2)9-11-17/h4-11,13,15H,1,12H2,2-3H3,(H,20,21)
InChIKeyVZNISDSIMNBDKG-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.97
Rot. Bonds7

About 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide

2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide (PubChem CID 17086700) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
PubChem CID17086700
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1
InChIInChI=1S/C19H21NO3/c1-4-12-22-18-7-5-6-16(13-18)20-19(21)15(3)23-17-10-8-14(2)9-11-17/h4-11,13,15H,1,12H2,2-3H3,(H,20,21)
InChIKeyVZNISDSIMNBDKG-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058
(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 40865849
N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17094785
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 28634034
(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 9234546

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide (CID 17086700) is 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide is C=CCOc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The InChIKey is VZNISDSIMNBDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-12-22-18-7-5-6-16(13-18)20-19(21)15(3)23-17-10-8-14(2)9-11-17/h4-11,13,15H,1,12H2,2-3H3,(H,20,21).
What are the key properties of 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 17086700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).