methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate

C19H22N2O5 — CID 54817060

IUPACmethyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
SMILESCOCCOc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C19H22N2O5/c1-24-10-11-26-17-5-3-4-16(12-17)21-18(22)13-20-15-8-6-14(7-9-15)19(23)25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyICMGSCQVCDDPBH-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.55
Rot. Bonds9

About methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate

methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate (PubChem CID 54817060) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
PubChem CID54817060
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
SMILESCOCCOc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C19H22N2O5/c1-24-10-11-26-17-5-3-4-16(12-17)21-18(22)13-20-15-8-6-14(7-9-15)19(23)25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyICMGSCQVCDDPBH-UHFFFAOYSA-N
XLogP2.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
CID 54812726
methyl 4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]benzoate
CID 54828126
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate (CID 54817060) is methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate is COCCOc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate?
The InChIKey is ICMGSCQVCDDPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-10-11-26-17-5-3-4-16(12-17)21-18(22)13-20-15-8-6-14(7-9-15)19(23)25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate?
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate has a molecular weight of 358.39 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 54817060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).