[2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate

C16H24N2O3 — CID 68690838

IUPAC[2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate
SMILESCCN(CCN(C)c1ccccc1C)C(=O)COC(C)=O
InChIInChI=1S/C16H24N2O3/c1-5-18(16(20)12-21-14(3)19)11-10-17(4)15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3
InChIKeyNRZCSHQYUXFNAW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.84
Rot. Bonds7

About [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate

[2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate (PubChem CID 68690838) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate
PubChem CID68690838
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate
SMILESCCN(CCN(C)c1ccccc1C)C(=O)COC(C)=O
InChIInChI=1S/C16H24N2O3/c1-5-18(16(20)12-21-14(3)19)11-10-17(4)15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3
InChIKeyNRZCSHQYUXFNAW-UHFFFAOYSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63053643
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2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
4-(N-ethyl-2-methylanilino)butan-2-one
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CID 83969246
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CID 25180158

Frequently Asked Questions

What is the IUPAC name of [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate?
The IUPAC name of [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate (CID 68690838) is [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate is CCN(CCN(C)c1ccccc1C)C(=O)COC(C)=O.
What is the InChIKey of [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate?
The InChIKey is NRZCSHQYUXFNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-18(16(20)12-21-14(3)19)11-10-17(4)15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3.
What are the key properties of [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate?
[2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate has a molecular weight of 292.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(N,2-dimethylanilino)ethyl-ethylamino]-2-oxoethyl] acetate is sourced from PubChem (CID 68690838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).