1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one

C22H21NO2 — CID 69042768

IUPAC1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC(Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-2-21(24)17-13-15-20(16-14-17)25-22(18-9-5-3-6-10-18)23-19-11-7-4-8-12-19/h3-16,22-23H,2H2,1H3
InChIKeyYNICVYAZHSWYRA-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.47
Rot. Bonds7

About 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one

1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one (PubChem CID 69042768) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one
PubChem CID69042768
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC(Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-2-21(24)17-13-15-20(16-14-17)25-22(18-9-5-3-6-10-18)23-19-11-7-4-8-12-19/h3-16,22-23H,2H2,1H3
InChIKeyYNICVYAZHSWYRA-UHFFFAOYSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
CID 8604783
1-phenyl(111C)propan-1-one
CID 11159350
2-fluoro-2-(4-propanoylphenoxy)acetic acid
CID 79357393
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
CID 160648144
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
CID 7935611
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
1-[4-(1-ethoxypropan-2-ylamino)phenyl]propan-1-one
CID 114066673
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107

Frequently Asked Questions

What is the IUPAC name of 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one (CID 69042768) is 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OC(Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one?
The InChIKey is YNICVYAZHSWYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-2-21(24)17-13-15-20(16-14-17)25-22(18-9-5-3-6-10-18)23-19-11-7-4-8-12-19/h3-16,22-23H,2H2,1H3.
What are the key properties of 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one?
1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 69042768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).