2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide

C23H24N2O3 — CID 42852472

IUPAC2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
SMILESCOc1cc(CNc2ccc(CC(=O)Nc3ccccc3)cc2)cc(OC)c1
InChIInChI=1S/C23H24N2O3/c1-27-21-12-18(13-22(15-21)28-2)16-24-19-10-8-17(9-11-19)14-23(26)25-20-6-4-3-5-7-20/h3-13,15,24H,14,16H2,1-2H3,(H,25,26)
InChIKeyMOSWTAZBHOUNJH-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.50
Rot. Bonds8

About 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide

2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide (PubChem CID 42852472) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
PubChem CID42852472
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
SMILESCOc1cc(CNc2ccc(CC(=O)Nc3ccccc3)cc2)cc(OC)c1
InChIInChI=1S/C23H24N2O3/c1-27-21-12-18(13-22(15-21)28-2)16-24-19-10-8-17(9-11-19)14-23(26)25-20-6-4-3-5-7-20/h3-13,15,24H,14,16H2,1-2H3,(H,25,26)
InChIKeyMOSWTAZBHOUNJH-UHFFFAOYSA-N
XLogP4.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
CID 43824322
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646
N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045424

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide (CID 42852472) is 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide is COc1cc(CNc2ccc(CC(=O)Nc3ccccc3)cc2)cc(OC)c1.
What is the InChIKey of 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide?
The InChIKey is MOSWTAZBHOUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21-12-18(13-22(15-21)28-2)16-24-19-10-8-17(9-11-19)14-23(26)25-20-6-4-3-5-7-20/h3-13,15,24H,14,16H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide?
2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide has a molecular weight of 376.46 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide is sourced from PubChem (CID 42852472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).