1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone

C24H25NO3 — CID 162242724

IUPAC1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone
SMILESCOCCOCc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1N
InChIInChI=1S/C24H25NO3/c1-27-13-14-28-17-22-12-11-21(16-23(22)25)24(26)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16H,13-15,17,25H2,1H3
InChIKeyZWXMLEWZMHWWAW-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.52
Rot. Bonds9

About 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone

1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone (PubChem CID 162242724) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone
PubChem CID162242724
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone
SMILESCOCCOCc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1N
InChIInChI=1S/C24H25NO3/c1-27-13-14-28-17-22-12-11-21(16-23(22)25)24(26)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16H,13-15,17,25H2,1H3
InChIKeyZWXMLEWZMHWWAW-UHFFFAOYSA-N
XLogP4.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[3-(2-methoxyethoxy)propoxymethyl]benzamide
CID 103401297
3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide
CID 103176862
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
3-amino-4-ethylphenol;1-(4-phenylphenyl)ethanone
CID 143575407
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone
CID 147688075
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-[2-(3-methoxypropoxy)-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylacetamide
CID 161191064
2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid
CID 140983421

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone (CID 162242724) is 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone is COCCOCc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1N.
What is the InChIKey of 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone?
The InChIKey is ZWXMLEWZMHWWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-27-13-14-28-17-22-12-11-21(16-23(22)25)24(26)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16H,13-15,17,25H2,1H3.
What are the key properties of 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone?
1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone has a molecular weight of 375.47 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 162242724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).