methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate

C24H25N3O3 — CID 78825131

IUPACmethyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C24H25N3O3/c1-30-24(29)21(16-18-10-4-2-5-11-18)27-22(28)17-26-23(19-12-6-3-7-13-19)20-14-8-9-15-25-20/h2-15,21,23,26H,16-17H2,1H3,(H,27,28)
InChIKeyFUBWSYBEEAFVSW-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.66
Rot. Bonds9

About methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate

methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate (PubChem CID 78825131) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate
PubChem CID78825131
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namemethyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C24H25N3O3/c1-30-24(29)21(16-18-10-4-2-5-11-18)27-22(28)17-26-23(19-12-6-3-7-13-19)20-14-8-9-15-25-20/h2-15,21,23,26H,16-17H2,1H3,(H,27,28)
InChIKeyFUBWSYBEEAFVSW-UHFFFAOYSA-N
XLogP2.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
methyl (2S)-2-[[2-(3H-diazirin-3-yl)acetyl]amino]-3-phenylpropanoate
CID 146167000
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
CID 6992952
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
methyl (2S)-3-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoate
CID 8620452
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
N-[(2-fluorophenyl)methyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 34159063

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate (CID 78825131) is methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)CNC(c1ccccc1)c1ccccn1.
What is the InChIKey of methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate?
The InChIKey is FUBWSYBEEAFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-24(29)21(16-18-10-4-2-5-11-18)27-22(28)17-26-23(19-12-6-3-7-13-19)20-14-8-9-15-25-20/h2-15,21,23,26H,16-17H2,1H3,(H,27,28).
What are the key properties of methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate?
methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate has a molecular weight of 403.48 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate is sourced from PubChem (CID 78825131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).