N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid

C18H32N2O4S — CID 75989741

IUPACN-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid
SMILESCCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C.CS(=O)(=O)O
InChIInChI=1S/C17H28N2O.CH4O3S/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5;1-5(2,3)4/h9-11,15H,6-8,12H2,1-5H3,(H,18,20);1H3,(H,2,3,4)
InChIKeyYEANWQGJNWTKTE-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.26
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid

N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid (PubChem CID 75989741) has the molecular formula C18H32N2O4S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid
PubChem CID75989741
Molecular FormulaC18H32N2O4S
Molecular Weight372.53 g/mol
Exact Mass372.21
IUPAC NameN-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid
SMILESCCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C.CS(=O)(=O)O
InChIInChI=1S/C17H28N2O.CH4O3S/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5;1-5(2,3)4/h9-11,15H,6-8,12H2,1-5H3,(H,18,20);1H3,(H,2,3,4)
InChIKeyYEANWQGJNWTKTE-UHFFFAOYSA-N
XLogP3.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane
CID 145255020
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride
CID 24848052
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one
CID 157438997
N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659297
(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide
CID 59870453
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide
CID 132667578
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
N-(2-amino-6-methylphenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43376010
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid (CID 75989741) is N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid is CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C.CS(=O)(=O)O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid?
The InChIKey is YEANWQGJNWTKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.CH4O3S/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5;1-5(2,3)4/h9-11,15H,6-8,12H2,1-5H3,(H,18,20);1H3,(H,2,3,4).
What are the key properties of N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid?
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid has a molecular weight of 372.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid is sourced from PubChem (CID 75989741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).