methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate

C14H20N2O4 — CID 60674332

IUPACmethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)OC
InChIInChI=1S/C14H20N2O4/c1-4-16(10-14(18)20-3)9-13(17)15-11-6-5-7-12(8-11)19-2/h5-8H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyCFHKTCFASKQMQZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.13
Rot. Bonds7

About methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate

methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate (PubChem CID 60674332) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
PubChem CID60674332
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)OC
InChIInChI=1S/C14H20N2O4/c1-4-16(10-14(18)20-3)9-13(17)15-11-6-5-7-12(8-11)19-2/h5-8H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyCFHKTCFASKQMQZ-UHFFFAOYSA-N
XLogP1.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78817860
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78831827
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
methyl 4-[[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]methyl]benzoate
CID 9026172
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate (CID 60674332) is methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)OC.
What is the InChIKey of methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate?
The InChIKey is CFHKTCFASKQMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16(10-14(18)20-3)9-13(17)15-11-6-5-7-12(8-11)19-2/h5-8H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate?
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate has a molecular weight of 280.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60674332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).