ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate

C16H22N2O3 — CID 47545412

IUPACethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)Nc1ccccc1C)C1CC1
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)11-18(13-8-9-13)10-15(19)17-14-7-5-4-6-12(14)2/h4-7,13H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyODSJRGPKWYAKCB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds7

About ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate

ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate (PubChem CID 47545412) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate
PubChem CID47545412
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)Nc1ccccc1C)C1CC1
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)11-18(13-8-9-13)10-15(19)17-14-7-5-4-6-12(14)2/h4-7,13H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyODSJRGPKWYAKCB-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methylphenyl)acetamide
CID 43319569
2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
CID 62012599
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152680
2-[methyl-[4-(methylamino)cyclohexyl]amino]-N-(2-methylphenyl)acetamide
CID 79117144
ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 47395347
2-[[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78816919
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 84567767
N-(2-tert-butylphenyl)-2-[cyclopropyl(ethyl)amino]acetamide
CID 86928197
2-[cyclopropyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetic acid
CID 60833392
ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate
CID 62025910

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate (CID 47545412) is ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate is CCOC(=O)CN(CC(=O)Nc1ccccc1C)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate?
The InChIKey is ODSJRGPKWYAKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-16(20)11-18(13-8-9-13)10-15(19)17-14-7-5-4-6-12(14)2/h4-7,13H,3,8-11H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 47545412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).