(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate

C20H22N2O4 — CID 46695851

IUPAC(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
SMILESCC(OC(=O)CCNC(=O)Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-15(20(25)22-17-10-6-3-7-11-17)26-19(24)12-13-21-18(23)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,21,23)(H,22,25)
InChIKeyCWDBEFLKZPWBHC-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.31
Rot. Bonds8

About (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate

(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate (PubChem CID 46695851) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Name(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
PubChem CID46695851
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
SMILESCC(OC(=O)CCNC(=O)Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-15(20(25)22-17-10-6-3-7-11-17)26-19(24)12-13-21-18(23)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,21,23)(H,22,25)
InChIKeyCWDBEFLKZPWBHC-UHFFFAOYSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827234
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8523244
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805323
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
[(2S)-1-anilino-1-oxopropan-2-yl] dodecanoate
CID 98093239
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908958
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553372
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874773
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-acetamidopropanoate
CID 7197466
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate (CID 46695851) is (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate is CC(OC(=O)CCNC(=O)Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate?
The InChIKey is CWDBEFLKZPWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15(20(25)22-17-10-6-3-7-11-17)26-19(24)12-13-21-18(23)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,21,23)(H,22,25).
What are the key properties of (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate?
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate has a molecular weight of 354.41 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 46695851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).