ethyl 3-(4-acetyl-N-methylanilino)propanoate

C14H19NO3 — CID 62004461

IUPACethyl 3-(4-acetyl-N-methylanilino)propanoate
SMILESCCOC(=O)CCN(C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H19NO3/c1-4-18-14(17)9-10-15(3)13-7-5-12(6-8-13)11(2)16/h5-8H,4,9-10H2,1-3H3
InChIKeyHYPHYYXEWQQDSV-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.28
Rot. Bonds6

About ethyl 3-(4-acetyl-N-methylanilino)propanoate

ethyl 3-(4-acetyl-N-methylanilino)propanoate (PubChem CID 62004461) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 3-(4-acetyl-N-methylanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-acetyl-N-methylanilino)propanoate
PubChem CID62004461
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-(4-acetyl-N-methylanilino)propanoate
SMILESCCOC(=O)CCN(C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H19NO3/c1-4-18-14(17)9-10-15(3)13-7-5-12(6-8-13)11(2)16/h5-8H,4,9-10H2,1-3H3
InChIKeyHYPHYYXEWQQDSV-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[N-methyl-4-[2-(methylamino)propanoyl]anilino]propanoate
CID 83971821
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
ethyl 4-[2-bromoethyl(methyl)amino]benzoate
CID 57062297
methyl 3-(4-ethoxy-N-methylanilino)propanoate
CID 115232288
ethyl 4-[[3-[2,2-bis[3-(4-ethoxycarbonyl-N-methylanilino)propanoyloxymethyl]butoxy]-3-hydroxypropyl]-methylamino]benzoate
CID 154950666
ethyl 3-(N-(3-ethoxy-3-oxopropyl)-4-ethylanilino)propanoate
CID 102182276
ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
CID 90146756
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
ethyl 3-[(4-bromo-3-methylbenzoyl)-methylamino]propanoate
CID 112705954
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-acetyl-N-methylanilino)propanoate?
The IUPAC name of ethyl 3-(4-acetyl-N-methylanilino)propanoate (CID 62004461) is ethyl 3-(4-acetyl-N-methylanilino)propanoate.
What is the SMILES notation for ethyl 3-(4-acetyl-N-methylanilino)propanoate?
The canonical SMILES for ethyl 3-(4-acetyl-N-methylanilino)propanoate is CCOC(=O)CCN(C)c1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 3-(4-acetyl-N-methylanilino)propanoate?
The InChIKey is HYPHYYXEWQQDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-18-14(17)9-10-15(3)13-7-5-12(6-8-13)11(2)16/h5-8H,4,9-10H2,1-3H3.
What are the key properties of ethyl 3-(4-acetyl-N-methylanilino)propanoate?
ethyl 3-(4-acetyl-N-methylanilino)propanoate has a molecular weight of 249.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-acetyl-N-methylanilino)propanoate is sourced from PubChem (CID 62004461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).