[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate

C21H24N2O6 — CID 46811128

IUPAC[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
SMILESCC(C)C(=O)Nc1ccc(C(=O)C(C)OC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C21H24N2O6/c1-13(2)20(26)23-16-8-6-15(7-9-16)19(25)14(3)29-18(24)10-11-22-21(27)17-5-4-12-28-17/h4-9,12-14H,10-11H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyLIKSCTDLVHQVIV-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.81
Rot. Bonds9

About [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate

[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 46811128) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
PubChem CID46811128
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
SMILESCC(C)C(=O)Nc1ccc(C(=O)C(C)OC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C21H24N2O6/c1-13(2)20(26)23-16-8-6-15(7-9-16)19(25)14(3)29-18(24)10-11-22-21(27)17-5-4-12-28-17/h4-9,12-14H,10-11H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyLIKSCTDLVHQVIV-UHFFFAOYSA-N
XLogP2.81
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908958
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909111
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908953
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)propanoate
CID 46795944
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791748
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879966
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909110
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 9455625
[1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 154763430
N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062881

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate (CID 46811128) is [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate is CC(C)C(=O)Nc1ccc(C(=O)C(C)OC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is LIKSCTDLVHQVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-13(2)20(26)23-16-8-6-15(7-9-16)19(25)14(3)29-18(24)10-11-22-21(27)17-5-4-12-28-17/h4-9,12-14H,10-11H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate?
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 400.43 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 46811128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).