N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide

C25H25NO3 — CID 17097694

IUPACN-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESC=C(C)COc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO3/c1-18(2)17-28-23-15-11-22(12-16-23)26-25(27)19(3)29-24-13-9-21(10-14-24)20-7-5-4-6-8-20/h4-16,19H,1,17H2,2-3H3,(H,26,27)
InChIKeyPSAHFDNTBISEPE-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.71
Rot. Bonds8

About N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide

N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide (PubChem CID 17097694) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
PubChem CID17097694
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC NameN-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESC=C(C)COc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO3/c1-18(2)17-28-23-15-11-22(12-16-23)26-25(27)19(3)29-24-13-9-21(10-14-24)20-7-5-4-6-8-20/h4-16,19H,1,17H2,2-3H3,(H,26,27)
InChIKeyPSAHFDNTBISEPE-UHFFFAOYSA-N
XLogP5.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.71
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)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 94093464
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
CID 17122473
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(4-phenylphenoxy)propanamide
CID 43915059
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 17122510

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide (CID 17097694) is N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide is C=C(C)COc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The InChIKey is PSAHFDNTBISEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-18(2)17-28-23-15-11-22(12-16-23)26-25(27)19(3)29-24-13-9-21(10-14-24)20-7-5-4-6-8-20/h4-16,19H,1,17H2,2-3H3,(H,26,27).
What are the key properties of N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide has a molecular weight of 387.48 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 17097694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).