N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide

C19H21NO3 — CID 17122473

IUPACN-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
SMILESC=C(C)COc1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-14(2)13-22-18-11-7-8-16(12-18)20-19(21)15(3)23-17-9-5-4-6-10-17/h4-12,15H,1,13H2,2-3H3,(H,20,21)
InChIKeyPOSHEHCUZBNVEM-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.05
Rot. Bonds7

About N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide

N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide (PubChem CID 17122473) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
PubChem CID17122473
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
SMILESC=C(C)COc1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-14(2)13-22-18-11-7-8-16(12-18)20-19(21)15(3)23-17-9-5-4-6-10-17/h4-12,15H,1,13H2,2-3H3,(H,20,21)
InChIKeyPOSHEHCUZBNVEM-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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

N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 17122510
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822286
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 24649964
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide (CID 17122473) is N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide is C=C(C)COc1cccc(NC(=O)C(C)Oc2ccccc2)c1.
What is the InChIKey of N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide?
The InChIKey is POSHEHCUZBNVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(2)13-22-18-11-7-8-16(12-18)20-19(21)15(3)23-17-9-5-4-6-10-17/h4-12,15H,1,13H2,2-3H3,(H,20,21).
What are the key properties of N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide?
N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide has a molecular weight of 311.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 17122473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).