2-anilinoethyl 2-[acetyl(methyl)amino]acetate

C13H18N2O3 — CID 70658920

IUPAC2-anilinoethyl 2-[acetyl(methyl)amino]acetate
SMILESCC(=O)N(C)CC(=O)OCCNc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-11(16)15(2)10-13(17)18-9-8-14-12-6-4-3-5-7-12/h3-7,14H,8-10H2,1-2H3
InChIKeyLICKIEKNCHNQQM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.12
Rot. Bonds6

About 2-anilinoethyl 2-[acetyl(methyl)amino]acetate

2-anilinoethyl 2-[acetyl(methyl)amino]acetate (PubChem CID 70658920) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-anilinoethyl 2-[acetyl(methyl)amino]acetate.

Molecular Properties

Compound Name2-anilinoethyl 2-[acetyl(methyl)amino]acetate
PubChem CID70658920
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-anilinoethyl 2-[acetyl(methyl)amino]acetate
SMILESCC(=O)N(C)CC(=O)OCCNc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-11(16)15(2)10-13(17)18-9-8-14-12-6-4-3-5-7-12/h3-7,14H,8-10H2,1-2H3
InChIKeyLICKIEKNCHNQQM-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilinoethyl 2-methylsulfanylacetate
CID 70658906
N-(anilinomethyl)-N-methylacetamide
CID 102126839
bis(2-anilinoethyl) (E)-but-2-enedioate;hydrochloride
CID 90411271
2-anilinoethyl 2-methylpropanoate
CID 20975992
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
1-O-(2-anilinoethyl) 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 163743019
3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate
CID 78863396
3,3-dimethylbutyl 3-anilinopropanoate
CID 66225531
2-anilinoethyl N-ethyl-N-propylcarbamate
CID 70360533
ethyl 3-anilinopropanoate
CID 10910393
octyl 3-anilinopropanoate
CID 63541566

Frequently Asked Questions

What is the IUPAC name of 2-anilinoethyl 2-[acetyl(methyl)amino]acetate?
The IUPAC name of 2-anilinoethyl 2-[acetyl(methyl)amino]acetate (CID 70658920) is 2-anilinoethyl 2-[acetyl(methyl)amino]acetate.
What is the SMILES notation for 2-anilinoethyl 2-[acetyl(methyl)amino]acetate?
The canonical SMILES for 2-anilinoethyl 2-[acetyl(methyl)amino]acetate is CC(=O)N(C)CC(=O)OCCNc1ccccc1.
What is the InChIKey of 2-anilinoethyl 2-[acetyl(methyl)amino]acetate?
The InChIKey is LICKIEKNCHNQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-11(16)15(2)10-13(17)18-9-8-14-12-6-4-3-5-7-12/h3-7,14H,8-10H2,1-2H3.
What are the key properties of 2-anilinoethyl 2-[acetyl(methyl)amino]acetate?
2-anilinoethyl 2-[acetyl(methyl)amino]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethyl 2-[acetyl(methyl)amino]acetate is sourced from PubChem (CID 70658920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).