1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one

C24H25NO3 — CID 174559518

IUPAC1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2ccccc2)cc1NCc1ccc(OC)cc1
InChIInChI=1S/C24H25NO3/c1-3-24(26)22-14-13-21(28-17-19-7-5-4-6-8-19)15-23(22)25-16-18-9-11-20(27-2)12-10-18/h4-15,25H,3,16-17H2,1-2H3
InChIKeyVZIPNDYGDWPWCL-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.48
Rot. Bonds9

About 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one

1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one (PubChem CID 174559518) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one
PubChem CID174559518
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2ccccc2)cc1NCc1ccc(OC)cc1
InChIInChI=1S/C24H25NO3/c1-3-24(26)22-14-13-21(28-17-19-7-5-4-6-8-19)15-23(22)25-16-18-9-11-20(27-2)12-10-18/h4-15,25H,3,16-17H2,1-2H3
InChIKeyVZIPNDYGDWPWCL-UHFFFAOYSA-N
XLogP5.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(benzylamino)-4-propanoylphenyl] benzenesulfonate
CID 174559571
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113253994
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
CID 160513371
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
2-[(4-methoxyphenyl)methylamino]benzoate
CID 3280708

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one (CID 174559518) is 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one is CCC(=O)c1ccc(OCc2ccccc2)cc1NCc1ccc(OC)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one?
The InChIKey is VZIPNDYGDWPWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-24(26)22-14-13-21(28-17-19-7-5-4-6-8-19)15-23(22)25-16-18-9-11-20(27-2)12-10-18/h4-15,25H,3,16-17H2,1-2H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one?
1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one has a molecular weight of 375.47 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one is sourced from PubChem (CID 174559518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).