[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

C26H28N2O5 — CID 55317088

IUPAC[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCc1ccc(C(C)NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1C
InChIInChI=1S/C26H28N2O5/c1-17-11-12-21(14-18(17)2)19(3)27-24(29)16-33-26(31)22(15-20-8-5-4-6-9-20)28-25(30)23-10-7-13-32-23/h4-14,19,22H,15-16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyQWAOSCQIMCQNFB-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.66
Rot. Bonds9

About [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 55317088) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID55317088
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCc1ccc(C(C)NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1C
InChIInChI=1S/C26H28N2O5/c1-17-11-12-21(14-18(17)2)19(3)27-24(29)16-33-26(31)22(15-20-8-5-4-6-9-20)28-25(30)23-10-7-13-32-23/h4-14,19,22H,15-16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyQWAOSCQIMCQNFB-UHFFFAOYSA-N
XLogP3.66
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate 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

[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-(1,2-diphenylethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55929358
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398164
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55316617
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55317171
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55358067
[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55926156
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7858566

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 55317088) is [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate is Cc1ccc(C(C)NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1C.
What is the InChIKey of [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is QWAOSCQIMCQNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-17-11-12-21(14-18(17)2)19(3)27-24(29)16-33-26(31)22(15-20-8-5-4-6-9-20)28-25(30)23-10-7-13-32-23/h4-14,19,22H,15-16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 448.52 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 55317088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).