ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate

C26H29NO4 — CID 118271747

IUPACethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C26H29NO4/c1-4-31-26(28)25(22-8-6-5-7-9-22)27(18-20-10-14-23(29-2)15-11-20)19-21-12-16-24(30-3)17-13-21/h5-17,25H,4,18-19H2,1-3H3
InChIKeyPJZBZACLLZVRCM-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.01
Rot. Bonds10

About ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate

ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate (PubChem CID 118271747) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
PubChem CID118271747
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Nameethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C26H29NO4/c1-4-31-26(28)25(22-8-6-5-7-9-22)27(18-20-10-14-23(29-2)15-11-20)19-21-12-16-24(30-3)17-13-21/h5-17,25H,4,18-19H2,1-3H3
InChIKeyPJZBZACLLZVRCM-UHFFFAOYSA-N
XLogP5.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[bis[(4-methoxyphenyl)methyl]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-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
ethyl 2-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-pentylamino]acetate
CID 58075711
ethyl 2-(dibenzylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 102383382
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
ethyl (3R,4R)-4-(dibenzylamino)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 11213030
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726
2-[3,3-diphenylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132943485
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
anisole;ethyl 2-methylpropanoate
CID 177064087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate (CID 118271747) is ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate is CCOC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate?
The InChIKey is PJZBZACLLZVRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-4-31-26(28)25(22-8-6-5-7-9-22)27(18-20-10-14-23(29-2)15-11-20)19-21-12-16-24(30-3)17-13-21/h5-17,25H,4,18-19H2,1-3H3.
What are the key properties of ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate?
ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate has a molecular weight of 419.52 g/mol, XLogP of 5.01, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate is sourced from PubChem (CID 118271747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).