2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane

C22H42N2O — CID 145255020

IUPAC2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane
SMILESCC.CC.CCCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H30N2O.2C2H6/c1-6-9-13-20(8-3)16(7-2)18(21)19-17-14(4)11-10-12-15(17)5;2*1-2/h10-12,16H,6-9,13H2,1-5H3,(H,19,21);2*1-2H3
InChIKeyZPNOWBYUQORJKI-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.19
Rot. Bonds8

About 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane

2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane (PubChem CID 145255020) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane
PubChem CID145255020
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Name2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane
SMILESCC.CC.CCCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H30N2O.2C2H6/c1-6-9-13-20(8-3)16(7-2)18(21)19-17-14(4)11-10-12-15(17)5;2*1-2/h10-12,16H,6-9,13H2,1-5H3,(H,19,21);2*1-2H3
InChIKeyZPNOWBYUQORJKI-UHFFFAOYSA-N
XLogP6.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid
CID 75989741
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide
CID 59870453
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
CID 24848052
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one
CID 157438997
ethyl 2-[2,3-bis(diethylamino)propanoylamino]-3-methylbenzoate
CID 24847042
2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide
CID 150761252
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane?
The IUPAC name of 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane (CID 145255020) is 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane.
What is the SMILES notation for 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane?
The canonical SMILES for 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane is CC.CC.CCCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane?
The InChIKey is ZPNOWBYUQORJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.2C2H6/c1-6-9-13-20(8-3)16(7-2)18(21)19-17-14(4)11-10-12-15(17)5;2*1-2/h10-12,16H,6-9,13H2,1-5H3,(H,19,21);2*1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane?
2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane has a molecular weight of 350.59 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane is sourced from PubChem (CID 145255020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).