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

C25H27NO4 — CID 118272342

IUPACmethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C25H27NO4/c1-28-22-13-9-19(10-14-22)17-26(18-20-11-15-23(29-2)16-12-20)24(25(27)30-3)21-7-5-4-6-8-21/h4-16,24H,17-18H2,1-3H3
InChIKeyRJOWWNYDAAKGCJ-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.62
Rot. Bonds9

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

methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate (PubChem CID 118272342) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
PubChem CID118272342
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Namemethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C25H27NO4/c1-28-22-13-9-19(10-14-22)17-26(18-20-11-15-23(29-2)16-12-20)24(25(27)30-3)21-7-5-4-6-8-21/h4-16,24H,17-18H2,1-3H3
InChIKeyRJOWWNYDAAKGCJ-UHFFFAOYSA-N
XLogP4.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118271747
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
CID 169443554
methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
CID 10737969
methyl (2S,3S)-2-(dibenzylamino)-3-(4-methoxyphenyl)-5-oxo-5-phenylpentanoate
CID 102288972
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
CID 8770772
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate
CID 58997996
2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18267543
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate (CID 118272342) is methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate is COC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate?
The InChIKey is RJOWWNYDAAKGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-28-22-13-9-19(10-14-22)17-26(18-20-11-15-23(29-2)16-12-20)24(25(27)30-3)21-7-5-4-6-8-21/h4-16,24H,17-18H2,1-3H3.
What are the key properties of methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate?
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate has a molecular weight of 405.49 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate is sourced from PubChem (CID 118272342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).