2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide

C27H30N2O3 — CID 46046632

IUPAC2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-20-6-4-8-23(14-20)17-28-26(30)16-22-10-12-25(13-11-22)29(27(31)19-32-3)18-24-9-5-7-21(2)15-24/h4-15H,16-19H2,1-3H3,(H,28,30)
InChIKeyXLWVHCQTNQFXGS-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.34
Rot. Bonds9

About 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide

2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 46046632) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID46046632
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-20-6-4-8-23(14-20)17-28-26(30)16-22-10-12-25(13-11-22)29(27(31)19-32-3)18-24-9-5-7-21(2)15-24/h4-15H,16-19H2,1-3H3,(H,28,30)
InChIKeyXLWVHCQTNQFXGS-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide
CID 42852958
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
CID 46046882
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 42852806
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide
CID 46046597
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46046893
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046328
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 71957999
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide (CID 46046632) is 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide is COCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is XLWVHCQTNQFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-20-6-4-8-23(14-20)17-28-26(30)16-22-10-12-25(13-11-22)29(27(31)19-32-3)18-24-9-5-7-21(2)15-24/h4-15H,16-19H2,1-3H3,(H,28,30).
What are the key properties of 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46046632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).