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

C16H24N2O3 — CID 62013232

IUPACmethyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
SMILESCCN(C(=O)CN(C)CCC(=O)OC)c1ccccc1C
InChIInChI=1S/C16H24N2O3/c1-5-18(14-9-7-6-8-13(14)2)15(19)12-17(3)11-10-16(20)21-4/h6-9H,5,10-12H2,1-4H3
InChIKeyTWRZNACGOWDTGU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.84
Rot. Bonds7

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

methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate (PubChem CID 62013232) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
PubChem CID62013232
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
SMILESCCN(C(=O)CN(C)CCC(=O)OC)c1ccccc1C
InChIInChI=1S/C16H24N2O3/c1-5-18(14-9-7-6-8-13(14)2)15(19)12-17(3)11-10-16(20)21-4/h6-9H,5,10-12H2,1-4H3
InChIKeyTWRZNACGOWDTGU-UHFFFAOYSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate with MolForge

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Related Compounds

3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
3-(N-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24568550
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153
N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 62014625
ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
CID 62012599
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
N-ethyl-N-(2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 3610846

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate (CID 62013232) is methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate is CCN(C(=O)CN(C)CCC(=O)OC)c1ccccc1C.
What is the InChIKey of methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate?
The InChIKey is TWRZNACGOWDTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-18(14-9-7-6-8-13(14)2)15(19)12-17(3)11-10-16(20)21-4/h6-9H,5,10-12H2,1-4H3.
What are the key properties of methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate?
methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate has a molecular weight of 292.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 62013232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).