methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate

C20H22N2O4 — CID 58817588

IUPACmethyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(Cc1ccccc1)NCC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-26-19(24)14-22-20(25)17(12-15-8-4-2-5-9-15)21-13-18(23)16-10-6-3-7-11-16/h2-11,17,21H,12-14H2,1H3,(H,22,25)
InChIKeyJPXNAOWJQUQBAD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.36
Rot. Bonds9

About methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate

methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate (PubChem CID 58817588) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate
PubChem CID58817588
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(Cc1ccccc1)NCC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-26-19(24)14-22-20(25)17(12-15-8-4-2-5-9-15)21-13-18(23)16-10-6-3-7-11-16/h2-11,17,21H,12-14H2,1H3,(H,22,25)
InChIKeyJPXNAOWJQUQBAD-UHFFFAOYSA-N
XLogP1.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
methyl 2-[[2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetate
CID 91557425
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-[[1-oxo-1-(phenacylamino)-3-phenylpropan-2-yl]amino]butanoic acid
CID 53462297
(2S)-2-amino-N-phenacyl-3-phenylpropanamide
CID 54565286
methyl 2-[[(2R,3R)-2,3-dibenzyl-4-oxo-4-(phenylmethoxyamino)butanoyl]amino]acetate
CID 139618755
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenacylamino)butanoic acid
CID 176600849
methyl 2-[[(3S)-2-hydroxy-4-phenyl-3-[(2-phenylacetyl)amino]butanoyl]amino]acetate
CID 101052198
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61359341
methyl (3S)-3-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-4-(4-hydroxyphenyl)butanoate
CID 70965829

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate (CID 58817588) is methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate is COC(=O)CNC(=O)C(Cc1ccccc1)NCC(=O)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate?
The InChIKey is JPXNAOWJQUQBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-19(24)14-22-20(25)17(12-15-8-4-2-5-9-15)21-13-18(23)16-10-6-3-7-11-16/h2-11,17,21H,12-14H2,1H3,(H,22,25).
What are the key properties of methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate?
methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate has a molecular weight of 354.41 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate is sourced from PubChem (CID 58817588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).