methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate

C26H27NO6 — CID 58997996

IUPACmethyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1OC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H27NO6/c1-30-21-13-10-19(11-14-21)25(28)27(17-20-12-15-22(31-2)16-23(20)32-3)24(26(29)33-4)18-8-6-5-7-9-18/h5-16,24H,17H2,1-4H3
InChIKeyCHAGPFWWUFVRPB-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.27
Rot. Bonds9

About methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate

methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate (PubChem CID 58997996) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate
PubChem CID58997996
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Namemethyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1OC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H27NO6/c1-30-21-13-10-19(11-14-21)25(28)27(17-20-12-15-22(31-2)16-23(20)32-3)24(26(29)33-4)18-8-6-5-7-9-18/h5-16,24H,17H2,1-4H3
InChIKeyCHAGPFWWUFVRPB-UHFFFAOYSA-N
XLogP4.27
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-[2-(trifluoromethyl)phenyl]acetate
CID 22135094
2-[2-(difluoromethoxy)phenyl]-2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]acetic acid
CID 69426829
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2689336
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 86810141
N-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl]-4-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 93128295

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate (CID 58997996) is methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate is COC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1OC)C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate?
The InChIKey is CHAGPFWWUFVRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6/c1-30-21-13-10-19(11-14-21)25(28)27(17-20-12-15-22(31-2)16-23(20)32-3)24(26(29)33-4)18-8-6-5-7-9-18/h5-16,24H,17H2,1-4H3.
What are the key properties of methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate?
methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate has a molecular weight of 449.50 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate is sourced from PubChem (CID 58997996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).