ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate

C15H22N2O3 — CID 62012599

IUPACethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)Nc1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-4-20-15(19)9-10-17(3)11-14(18)16-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyDVHMLEAVSZBUTC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.82
Rot. Bonds7

About ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate

ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate (PubChem CID 62012599) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
PubChem CID62012599
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)Nc1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-4-20-15(19)9-10-17(3)11-14(18)16-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyDVHMLEAVSZBUTC-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
CID 81491089
ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate
CID 47545412
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 30046523
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
ethyl 3-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011447
ethyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]acetate
CID 62011415
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 112800275

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate (CID 62012599) is ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate is CCOC(=O)CCN(C)CC(=O)Nc1ccccc1C.
What is the InChIKey of ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate?
The InChIKey is DVHMLEAVSZBUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-15(19)9-10-17(3)11-14(18)16-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate?
ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 62012599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).