2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide

C18H19NO3 — CID 4952534

IUPAC2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-13-21-16-11-9-15(10-12-16)19-18(20)14(2)22-17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3,(H,19,20)
InChIKeyMCIPPSOXOAMGHQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.66
Rot. Bonds7

About 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide

2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide (PubChem CID 4952534) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
PubChem CID4952534
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-13-21-16-11-9-15(10-12-16)19-18(20)14(2)22-17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3,(H,19,20)
InChIKeyMCIPPSOXOAMGHQ-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.66
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

(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 9234546
(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 26075067
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 4958570
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide?
The IUPAC name of 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide (CID 4952534) is 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide is C=CCOc1ccc(NC(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide?
The InChIKey is MCIPPSOXOAMGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-13-21-16-11-9-15(10-12-16)19-18(20)14(2)22-17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3,(H,19,20).
What are the key properties of 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide?
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide has a molecular weight of 297.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 4952534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).