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

C15H22N2O4 — CID 60674331

IUPACethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-17(11-15(19)21-5-2)10-14(18)16-12-7-6-8-13(9-12)20-3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyWAFHEBGSEAUOBX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.52
Rot. Bonds8

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

ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate (PubChem CID 60674331) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
PubChem CID60674331
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-17(11-15(19)21-5-2)10-14(18)16-12-7-6-8-13(9-12)20-3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyWAFHEBGSEAUOBX-UHFFFAOYSA-N
XLogP1.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
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-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
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
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate (CID 60674331) is ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate is CCOC(=O)CN(CC)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate?
The InChIKey is WAFHEBGSEAUOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(11-15(19)21-5-2)10-14(18)16-12-7-6-8-13(9-12)20-3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate?
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate has a molecular weight of 294.35 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60674331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).