N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide

C28H26N2O2 — CID 46045434

IUPACN-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(NCc3cccc(Oc4ccccc4)c3)cc2)c1
InChIInChI=1S/C28H26N2O2/c1-21-7-5-9-25(17-21)30-28(31)19-22-13-15-24(16-14-22)29-20-23-8-6-12-27(18-23)32-26-10-3-2-4-11-26/h2-18,29H,19-20H2,1H3,(H,30,31)
InChIKeyQSIQHSPSRMJMNK-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.58
Rot. Bonds8

About N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide

N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide (PubChem CID 46045434) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
PubChem CID46045434
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC NameN-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(NCc3cccc(Oc4ccccc4)c3)cc2)c1
InChIInChI=1S/C28H26N2O2/c1-21-7-5-9-25(17-21)30-28(31)19-22-13-15-24(16-14-22)29-20-23-8-6-12-27(18-23)32-26-10-3-2-4-11-26/h2-18,29H,19-20H2,1H3,(H,30,31)
InChIKeyQSIQHSPSRMJMNK-UHFFFAOYSA-N
XLogP6.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045424
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126266161
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 42852606
2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852472
2-[4-[(2,5-dimethoxyphenyl)methylamino]phenyl]-N-(3-methylphenyl)acetamide
CID 42852610
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide (CID 46045434) is N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide is Cc1cccc(NC(=O)Cc2ccc(NCc3cccc(Oc4ccccc4)c3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide?
The InChIKey is QSIQHSPSRMJMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-21-7-5-9-25(17-21)30-28(31)19-22-13-15-24(16-14-22)29-20-23-8-6-12-27(18-23)32-26-10-3-2-4-11-26/h2-18,29H,19-20H2,1H3,(H,30,31).
What are the key properties of N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide?
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 6.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 46045434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).