2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate

C24H40N2O4 — CID 130251780

IUPAC2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate
SMILESCCCCCCCCCOC(=O)OCCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H40N2O4/c1-5-7-8-9-10-11-12-17-29-24(28)30-18-16-26(6-2)19-22(27)25-23-20(3)14-13-15-21(23)4/h13-15H,5-12,16-19H2,1-4H3,(H,25,27)
InChIKeyYZYNZTGBOVSVAT-UHFFFAOYSA-N
MW420.59 g/mol
LogP5.47
Rot. Bonds15

About 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate (PubChem CID 130251780) has the molecular formula C24H40N2O4 and a molecular weight of 420.59 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate
PubChem CID130251780
Molecular FormulaC24H40N2O4
Molecular Weight420.59 g/mol
Exact Mass420.30
IUPAC Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate
SMILESCCCCCCCCCOC(=O)OCCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H40N2O4/c1-5-7-8-9-10-11-12-17-29-24(28)30-18-16-26(6-2)19-22(27)25-23-20(3)14-13-15-21(23)4/h13-15H,5-12,16-19H2,1-4H3,(H,25,27)
InChIKeyYZYNZTGBOVSVAT-UHFFFAOYSA-N
XLogP5.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.59
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
N-(2-amino-6-methylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444432
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
2-decoxycarbonyloxyethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
CID 130180537
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-(2-nonoxycarbonyloxyethyl)azanium
CID 130180090
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
CID 155092479
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate?
The IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate (CID 130251780) is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate.
What is the SMILES notation for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate?
The canonical SMILES for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate is CCCCCCCCCOC(=O)OCCN(CC)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate?
The InChIKey is YZYNZTGBOVSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O4/c1-5-7-8-9-10-11-12-17-29-24(28)30-18-16-26(6-2)19-22(27)25-23-20(3)14-13-15-21(23)4/h13-15H,5-12,16-19H2,1-4H3,(H,25,27).
What are the key properties of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate?
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate has a molecular weight of 420.59 g/mol, XLogP of 5.47, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate is sourced from PubChem (CID 130251780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).