methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate

C26H28N2O4 — CID 56542453

IUPACmethyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
SMILESCOC(=O)C(C)(COc1ccccc1)NCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O4/c1-26(25(30)31-2,20-32-23-16-10-5-11-17-23)27-18-24(29)28(22-14-8-4-9-15-22)19-21-12-6-3-7-13-21/h3-17,27H,18-20H2,1-2H3
InChIKeyCLUJVHOZRPANKN-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.82
Rot. Bonds10

About methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate

methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate (PubChem CID 56542453) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
PubChem CID56542453
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Namemethyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
SMILESCOC(=O)C(C)(COc1ccccc1)NCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O4/c1-26(25(30)31-2,20-32-23-16-10-5-11-17-23)27-18-24(29)28(22-14-8-4-9-15-22)19-21-12-6-3-7-13-21/h3-17,27H,18-20H2,1-2H3
InChIKeyCLUJVHOZRPANKN-UHFFFAOYSA-N
XLogP3.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate with MolForge

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Related Compounds

methyl (2S)-2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-2-methylpentanoate
CID 95322159
ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate
CID 56542389
methyl 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542072
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542171
1-benzyl-3-(phenoxymethyl)-1-phenylurea
CID 108888948
methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542399
methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542104
N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 113000349
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
N-benzyl-2-(2-chloroanilino)-N-phenylacetamide
CID 109008415
methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate
CID 95332256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The IUPAC name of methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate (CID 56542453) is methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate.
What is the SMILES notation for methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The canonical SMILES for methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate is COC(=O)C(C)(COc1ccccc1)NCC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The InChIKey is CLUJVHOZRPANKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-26(25(30)31-2,20-32-23-16-10-5-11-17-23)27-18-24(29)28(22-14-8-4-9-15-22)19-21-12-6-3-7-13-21/h3-17,27H,18-20H2,1-2H3.
What are the key properties of methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate has a molecular weight of 432.52 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(N-benzylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate is sourced from PubChem (CID 56542453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).