2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide

C26H28N2O5 — CID 18839457

IUPAC2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide
SMILESCOc1ccc(CC(=O)NC(NC(=O)Cc2ccc(OC)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C26H28N2O5/c1-31-20-12-8-18(9-13-20)16-24(29)27-26(22-6-4-5-7-23(22)33-3)28-25(30)17-19-10-14-21(32-2)15-11-19/h4-15,26H,16-17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyVYRBMUDJKZWVRO-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.43
Rot. Bonds10

About 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide (PubChem CID 18839457) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide
PubChem CID18839457
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide
SMILESCOc1ccc(CC(=O)NC(NC(=O)Cc2ccc(OC)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C26H28N2O5/c1-31-20-12-8-18(9-13-20)16-24(29)27-26(22-6-4-5-7-23(22)33-3)28-25(30)17-19-10-14-21(32-2)15-11-19/h4-15,26H,16-17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyVYRBMUDJKZWVRO-UHFFFAOYSA-N
XLogP3.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
CID 3515391
2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144672
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
N-[(S)-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 129432320

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide (CID 18839457) is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide is COc1ccc(CC(=O)NC(NC(=O)Cc2ccc(OC)cc2)c2ccccc2OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide?
The InChIKey is VYRBMUDJKZWVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-31-20-12-8-18(9-13-20)16-24(29)27-26(22-6-4-5-7-23(22)33-3)28-25(30)17-19-10-14-21(32-2)15-11-19/h4-15,26H,16-17H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide?
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide is sourced from PubChem (CID 18839457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).