(N,2-diethylanilino) acetate

C12H17NO2 — CID 57360583

IUPAC(N,2-diethylanilino) acetate
SMILESCCc1ccccc1N(CC)OC(C)=O
InChIInChI=1S/C12H17NO2/c1-4-11-8-6-7-9-12(11)13(5-2)15-10(3)14/h6-9H,4-5H2,1-3H3
InChIKeyIADREIFNVYDKGE-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.55
Rot. Bonds4

About (N,2-diethylanilino) acetate

(N,2-diethylanilino) acetate (PubChem CID 57360583) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (N,2-diethylanilino) acetate.

Molecular Properties

Compound Name(N,2-diethylanilino) acetate
PubChem CID57360583
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(N,2-diethylanilino) acetate
SMILESCCc1ccccc1N(CC)OC(C)=O
InChIInChI=1S/C12H17NO2/c1-4-11-8-6-7-9-12(11)13(5-2)15-10(3)14/h6-9H,4-5H2,1-3H3
InChIKeyIADREIFNVYDKGE-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[N-ethyl-2-(3-methoxypropyl)anilino] acetate
CID 88838715
N,2-diethyl-N-(methoxymethyl)aniline
CID 174267548
(N-acetyloxy-2-ethyl-3-methylanilino) acetate
CID 45108183
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
N-(2-ethylphenyl)-N-hexanoylhexanamide
CID 91711142
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
carbonic acid;1,2-diethylbenzene
CID 89388803
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
(2,6-diethylphenyl) acetate
CID 23273842
[2-[acetyl(methyl)amino]phenyl]methyl acetate
CID 13244169
CID 90389587
CID 90389587
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054

Frequently Asked Questions

What is the IUPAC name of (N,2-diethylanilino) acetate?
The IUPAC name of (N,2-diethylanilino) acetate (CID 57360583) is (N,2-diethylanilino) acetate.
What is the SMILES notation for (N,2-diethylanilino) acetate?
The canonical SMILES for (N,2-diethylanilino) acetate is CCc1ccccc1N(CC)OC(C)=O.
What is the InChIKey of (N,2-diethylanilino) acetate?
The InChIKey is IADREIFNVYDKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-11-8-6-7-9-12(11)13(5-2)15-10(3)14/h6-9H,4-5H2,1-3H3.
What are the key properties of (N,2-diethylanilino) acetate?
(N,2-diethylanilino) acetate has a molecular weight of 207.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N,2-diethylanilino) acetate is sourced from PubChem (CID 57360583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).