ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate

C16H24N2O3 — CID 83971821

IUPACethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate
SMILESCCOC(=O)CCN(C)c1ccc(C(=O)C(C)NC)cc1
InChIInChI=1S/C16H24N2O3/c1-5-21-15(19)10-11-18(4)14-8-6-13(7-9-14)16(20)12(2)17-3/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyDIQVUFASDMSVOZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.87
Rot. Bonds8

About ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate

ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate (PubChem CID 83971821) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate.

Molecular Properties

Compound Nameethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate
PubChem CID83971821
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate
SMILESCCOC(=O)CCN(C)c1ccc(C(=O)C(C)NC)cc1
InChIInChI=1S/C16H24N2O3/c1-5-21-15(19)10-11-18(4)14-8-6-13(7-9-14)16(20)12(2)17-3/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyDIQVUFASDMSVOZ-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461
1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
CID 83971810
methyl 3-(4-ethoxy-N-methylanilino)propanoate
CID 115232288
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
ethyl 4-[[3-[2,2-bis[3-(4-ethoxycarbonyl-N-methylanilino)propanoyloxymethyl]butoxy]-3-hydroxypropyl]-methylamino]benzoate
CID 154950666
ethyl 4-[2-bromoethyl(methyl)amino]benzoate
CID 57062297
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
CID 101131905
methyl 3-(N-methyl-4-propan-2-ylsulfanylanilino)propanoate
CID 115232328
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
ethyl 3-(N-(3-ethoxy-3-oxopropyl)-4-ethylanilino)propanoate
CID 102182276

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate?
The IUPAC name of ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate (CID 83971821) is ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate.
What is the SMILES notation for ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate?
The canonical SMILES for ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate is CCOC(=O)CCN(C)c1ccc(C(=O)C(C)NC)cc1.
What is the InChIKey of ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate?
The InChIKey is DIQVUFASDMSVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-21-15(19)10-11-18(4)14-8-6-13(7-9-14)16(20)12(2)17-3/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate?
ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate has a molecular weight of 292.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate is sourced from PubChem (CID 83971821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).