methyl 3-(3-ethylanilino)-2-methylpropanoate

C13H19NO2 — CID 43538563

IUPACmethyl 3-(3-ethylanilino)-2-methylpropanoate
SMILESCCc1cccc(NCC(C)C(=O)OC)c1
InChIInChI=1S/C13H19NO2/c1-4-11-6-5-7-12(8-11)14-9-10(2)13(15)16-3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyQABJFAUFRKRQOS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds5

About methyl 3-(3-ethylanilino)-2-methylpropanoate

methyl 3-(3-ethylanilino)-2-methylpropanoate (PubChem CID 43538563) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 3-(3-ethylanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethylanilino)-2-methylpropanoate
PubChem CID43538563
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 3-(3-ethylanilino)-2-methylpropanoate
SMILESCCc1cccc(NCC(C)C(=O)OC)c1
InChIInChI=1S/C13H19NO2/c1-4-11-6-5-7-12(8-11)14-9-10(2)13(15)16-3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyQABJFAUFRKRQOS-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702
methyl 3-(3-bromoanilino)-2-methylpropanoate
CID 43538528
prop-2-ynyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82534103
methyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316695
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate
CID 54091562
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
methyl 2-bromo-3-[3-(methoxymethyl)anilino]propanoate
CID 103245977
ethyl 3-(3-ethylanilino)propanoate
CID 43365421
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
2-(3-ethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901862

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethylanilino)-2-methylpropanoate?
The IUPAC name of methyl 3-(3-ethylanilino)-2-methylpropanoate (CID 43538563) is methyl 3-(3-ethylanilino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3-ethylanilino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(3-ethylanilino)-2-methylpropanoate is CCc1cccc(NCC(C)C(=O)OC)c1.
What is the InChIKey of methyl 3-(3-ethylanilino)-2-methylpropanoate?
The InChIKey is QABJFAUFRKRQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11-6-5-7-12(8-11)14-9-10(2)13(15)16-3/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of methyl 3-(3-ethylanilino)-2-methylpropanoate?
methyl 3-(3-ethylanilino)-2-methylpropanoate has a molecular weight of 221.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethylanilino)-2-methylpropanoate is sourced from PubChem (CID 43538563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).