methyl 3-(4-ethoxy-N-methylanilino)propanoate

C13H19NO3 — CID 115232288

IUPACmethyl 3-(4-ethoxy-N-methylanilino)propanoate
SMILESCCOc1ccc(N(C)CCC(=O)OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-17-12-7-5-11(6-8-12)14(2)10-9-13(15)16-3/h5-8H,4,9-10H2,1-3H3
InChIKeyRIFWZGFFZSTXKJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.08
Rot. Bonds6

About methyl 3-(4-ethoxy-N-methylanilino)propanoate

methyl 3-(4-ethoxy-N-methylanilino)propanoate (PubChem CID 115232288) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-(4-ethoxy-N-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethoxy-N-methylanilino)propanoate
PubChem CID115232288
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-(4-ethoxy-N-methylanilino)propanoate
SMILESCCOc1ccc(N(C)CCC(=O)OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-17-12-7-5-11(6-8-12)14(2)10-9-13(15)16-3/h5-8H,4,9-10H2,1-3H3
InChIKeyRIFWZGFFZSTXKJ-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761
methyl 3-(N-methyl-4-propan-2-ylsulfanylanilino)propanoate
CID 115232328
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
methyl 4-[(4-ethoxyphenyl)sulfonyl-methylamino]butanoate
CID 60715335
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461
methyl 3-(N-methyl-4-nitroanilino)propanoate;4-nitroaniline
CID 161177760
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethoxy-N-methylanilino)propanoate?
The IUPAC name of methyl 3-(4-ethoxy-N-methylanilino)propanoate (CID 115232288) is methyl 3-(4-ethoxy-N-methylanilino)propanoate.
What is the SMILES notation for methyl 3-(4-ethoxy-N-methylanilino)propanoate?
The canonical SMILES for methyl 3-(4-ethoxy-N-methylanilino)propanoate is CCOc1ccc(N(C)CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-(4-ethoxy-N-methylanilino)propanoate?
The InChIKey is RIFWZGFFZSTXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-12-7-5-11(6-8-12)14(2)10-9-13(15)16-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of methyl 3-(4-ethoxy-N-methylanilino)propanoate?
methyl 3-(4-ethoxy-N-methylanilino)propanoate has a molecular weight of 237.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethoxy-N-methylanilino)propanoate is sourced from PubChem (CID 115232288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).