2-anilinoethyl 2-methylpropanoate

C12H17NO2 — CID 20975992

IUPAC2-anilinoethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCNc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(2)12(14)15-9-8-13-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyMCOOMRCNVMSPDA-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.30
Rot. Bonds5

About 2-anilinoethyl 2-methylpropanoate

2-anilinoethyl 2-methylpropanoate (PubChem CID 20975992) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-anilinoethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-anilinoethyl 2-methylpropanoate
PubChem CID20975992
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-anilinoethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCNc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(2)12(14)15-9-8-13-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyMCOOMRCNVMSPDA-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(2-anilinoethyl) (E)-but-2-enedioate;hydrochloride
CID 90411271
2-anilinoethyl 2-methylsulfanylacetate
CID 70658906
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
2-anilinoethyl 2-[acetyl(methyl)amino]acetate
CID 70658920
2-anilinoethyl N-ethyl-N-propylcarbamate
CID 70360533
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
1-O-(2-anilinoethyl) 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 163743019
2-[2-(2-anilinoethoxy)ethoxy]acetic acid
CID 101429259
ethyl 3-anilinopropanoate
CID 10910393
(2S)-2-amino-3-methylbutanoic acid;N-propylaniline
CID 67669423
1-phenylethyl 3-anilinopropanoate
CID 61277472
3,3-dimethylbutyl 3-anilinopropanoate
CID 66225531

Frequently Asked Questions

What is the IUPAC name of 2-anilinoethyl 2-methylpropanoate?
The IUPAC name of 2-anilinoethyl 2-methylpropanoate (CID 20975992) is 2-anilinoethyl 2-methylpropanoate.
What is the SMILES notation for 2-anilinoethyl 2-methylpropanoate?
The canonical SMILES for 2-anilinoethyl 2-methylpropanoate is CC(C)C(=O)OCCNc1ccccc1.
What is the InChIKey of 2-anilinoethyl 2-methylpropanoate?
The InChIKey is MCOOMRCNVMSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(2)12(14)15-9-8-13-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of 2-anilinoethyl 2-methylpropanoate?
2-anilinoethyl 2-methylpropanoate has a molecular weight of 207.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethyl 2-methylpropanoate is sourced from PubChem (CID 20975992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).