[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C26H27N3O7 — CID 55926156

IUPAC[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C26H27N3O7/c1-17-10-11-21(34-2)19(13-17)28-23(30)15-27-24(31)16-36-26(33)20(14-18-7-4-3-5-8-18)29-25(32)22-9-6-12-35-22/h3-13,20H,14-16H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)/t20-/m0/s1
InChIKeyVOKKQHVDHWTJEB-FQEVSTJZSA-N
MW493.52 g/mol
LogP2.24
Rot. Bonds11

About [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 55926156) has the molecular formula C26H27N3O7 and a molecular weight of 493.52 g/mol. Its IUPAC name is [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID55926156
Molecular FormulaC26H27N3O7
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC Name[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C26H27N3O7/c1-17-10-11-21(34-2)19(13-17)28-23(30)15-27-24(31)16-36-26(33)20(14-18-7-4-3-5-8-18)29-25(32)22-9-6-12-35-22/h3-13,20H,14-16H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)/t20-/m0/s1
InChIKeyVOKKQHVDHWTJEB-FQEVSTJZSA-N
XLogP2.24
TPSA135.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate with MolForge

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Related Compounds

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55317171
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398164
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 5109807
[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55317088
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565992
[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368916
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 55926156) is [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is VOKKQHVDHWTJEB-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27N3O7/c1-17-10-11-21(34-2)19(13-17)28-23(30)15-27-24(31)16-36-26(33)20(14-18-7-4-3-5-8-18)29-25(32)22-9-6-12-35-22/h3-13,20H,14-16H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)/t20-/m0/s1.
What are the key properties of [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 493.52 g/mol, XLogP of 2.24, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 55926156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).