methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate

C21H20N2O2 — CID 162399408

IUPACmethyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-25-20(24)21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)23-16-19-14-8-9-15-22-19/h2-15,23H,16H2,1H3
InChIKeyZTTFIKFCKYRELR-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.29
Rot. Bonds6

About methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate

methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate (PubChem CID 162399408) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
PubChem CID162399408
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Namemethyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-25-20(24)21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)23-16-19-14-8-9-15-22-19/h2-15,23H,16H2,1H3
InChIKeyZTTFIKFCKYRELR-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate 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

(dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
CID 175104669
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
3-ethyl-N-(pyridin-2-ylmethyl)pentan-3-amine
CID 65039361
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
2-(3-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 75482912
methyl (2E,4E)-5-(pyridin-2-ylmethylamino)penta-2,4-dienoate
CID 10846468
methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
1-(4-hydroxy-2-phenylbutan-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 151527742
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
CID 135143039

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate?
The IUPAC name of methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate (CID 162399408) is methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate is COC(=O)C(NCc1ccccn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate?
The InChIKey is ZTTFIKFCKYRELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-20(24)21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)23-16-19-14-8-9-15-22-19/h2-15,23H,16H2,1H3.
What are the key properties of methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate?
methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate has a molecular weight of 332.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate is sourced from PubChem (CID 162399408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).