ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate

C18H21NO3 — CID 91380200

IUPACethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
SMILESCCOC(=O)C(NCc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-22-18(20)17(14-9-5-4-6-10-14)19-13-15-11-7-8-12-16(15)21-2/h4-12,17,19H,3,13H2,1-2H3
InChIKeyYCOMYNWYZGYDMF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.09
Rot. Bonds7

About ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate

ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate (PubChem CID 91380200) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
PubChem CID91380200
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
SMILESCCOC(=O)C(NCc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-22-18(20)17(14-9-5-4-6-10-14)19-13-15-11-7-8-12-16(15)21-2/h4-12,17,19H,3,13H2,1-2H3
InChIKeyYCOMYNWYZGYDMF-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 84747421
(2R)-2-[(2-ethoxyphenyl)methylamino]-2-phenylacetamide
CID 95582076
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
2-[(2-methoxy-5-methylphenyl)methylamino]-2-phenylacetamide
CID 56811840
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
(2R)-N-carbamoyl-2-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
CID 8774840
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate (CID 91380200) is ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate is CCOC(=O)C(NCc1ccccc1OC)c1ccccc1.
What is the InChIKey of ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate?
The InChIKey is YCOMYNWYZGYDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-18(20)17(14-9-5-4-6-10-14)19-13-15-11-7-8-12-16(15)21-2/h4-12,17,19H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate?
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate has a molecular weight of 299.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate is sourced from PubChem (CID 91380200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).