methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate

C19H22N2O4 — CID 60565339

IUPACmethyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-24-17-10-8-16(9-11-17)20-18(22)13-21(14-19(23)25-2)12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyDUESWFJUNQYMRO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.31
Rot. Bonds8

About methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate

methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate (PubChem CID 60565339) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
PubChem CID60565339
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-24-17-10-8-16(9-11-17)20-18(22)13-21(14-19(23)25-2)12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyDUESWFJUNQYMRO-UHFFFAOYSA-N
XLogP2.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
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N'-(4-methoxyphenyl)-N-phenylpropanediamide
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methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
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2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
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2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
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methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
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CID 35164000

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate (CID 60565339) is methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate is COC(=O)CN(CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate?
The InChIKey is DUESWFJUNQYMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-17-10-8-16(9-11-17)20-18(22)13-21(14-19(23)25-2)12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate?
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate has a molecular weight of 342.40 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60565339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).