[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate

C20H24N2O5 — CID 55369027

IUPAC[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate
SMILESCC(OC(=O)CCCNC(=O)c1ccco1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H24N2O5/c1-14(16-8-4-3-5-9-16)22-19(24)15(2)27-18(23)11-6-12-21-20(25)17-10-7-13-26-17/h3-5,7-10,13-15H,6,11-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyRHEYHJJHUNQJBP-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.60
Rot. Bonds9

About [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate

[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate (PubChem CID 55369027) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate.

Molecular Properties

Compound Name[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate
PubChem CID55369027
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate
SMILESCC(OC(=O)CCCNC(=O)c1ccco1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H24N2O5/c1-14(16-8-4-3-5-9-16)22-19(24)15(2)27-18(23)11-6-12-21-20(25)17-10-7-13-26-17/h3-5,7-10,13-15H,6,11-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyRHEYHJJHUNQJBP-UHFFFAOYSA-N
XLogP2.60
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate 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

ethyl 2-[2-[4-(furan-2-carbonylamino)butanoyloxy]propanoylamino]-5-phenylthiophene-3-carboxylate
CID 55369073
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
N-[1-oxo-1-[3-(1-phenylethoxy)propylamino]propan-2-yl]furan-2-carboxamide
CID 46536778
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908958
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909110
[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)butanoate
CID 55404779
[1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 154763430
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908953

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate?
The IUPAC name of [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate (CID 55369027) is [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate.
What is the SMILES notation for [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate?
The canonical SMILES for [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate is CC(OC(=O)CCCNC(=O)c1ccco1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate?
The InChIKey is RHEYHJJHUNQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14(16-8-4-3-5-9-16)22-19(24)15(2)27-18(23)11-6-12-21-20(25)17-10-7-13-26-17/h3-5,7-10,13-15H,6,11-12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate?
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate has a molecular weight of 372.42 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(furan-2-carbonylamino)butanoate is sourced from PubChem (CID 55369027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).