5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide

C20H42N2O4S — CID 118241926

IUPAC5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide
SMILESCCC(C)OC(CN(C(C)C)S(C)(=O)=O)C(C)(C)CC(CC)C(=O)N(C)C
InChIInChI=1S/C20H42N2O4S/c1-11-16(5)26-18(14-22(15(3)4)27(10,24)25)20(6,7)13-17(12-2)19(23)21(8)9/h15-18H,11-14H2,1-10H3
InChIKeyCOTPEAMWGJWCSI-UHFFFAOYSA-N
MW406.63 g/mol
LogP3.37
Rot. Bonds12

About 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide

5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide (PubChem CID 118241926) has the molecular formula C20H42N2O4S and a molecular weight of 406.63 g/mol. Its IUPAC name is 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide.

Molecular Properties

Compound Name5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide
PubChem CID118241926
Molecular FormulaC20H42N2O4S
Molecular Weight406.63 g/mol
Exact Mass406.29
IUPAC Name5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide
SMILESCCC(C)OC(CN(C(C)C)S(C)(=O)=O)C(C)(C)CC(CC)C(=O)N(C)C
InChIInChI=1S/C20H42N2O4S/c1-11-16(5)26-18(14-22(15(3)4)27(10,24)25)20(6,7)13-17(12-2)19(23)21(8)9/h15-18H,11-14H2,1-10H3
InChIKeyCOTPEAMWGJWCSI-UHFFFAOYSA-N
XLogP3.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.63
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide with MolForge

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Related Compounds

2-[(dimethylamino)methyl]-N,N-dimethylbutanamide;ethane
CID 171517264
N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
CID 118241803
2-ethyl-N,N-dimethylhexanamide
CID 3019000
N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide
CID 89118519
[(2S)-2-[(2S)-3,3-dimethylpentan-2-yl]oxy-3-[methyl(methylsulfonyl)amino]propyl] 2-(dimethylamino)acetate
CID 118241677
ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate
CID 62490262
(2S,3R)-3-hydroxy-N,N,2,3-tetramethylpentanamide
CID 15642435
N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide
CID 12952545
4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide
CID 118241891
N-[3,3-dimethyl-4-[(S)-methylsulfinyl]-2-propan-2-yloxybutyl]-N-methylmethanesulfonamide
CID 118241749
N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide
CID 118241855
2-amino-N,N-dimethylbutanamide
CID 43649466

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide?
The IUPAC name of 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide (CID 118241926) is 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide.
What is the SMILES notation for 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide?
The canonical SMILES for 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide is CCC(C)OC(CN(C(C)C)S(C)(=O)=O)C(C)(C)CC(CC)C(=O)N(C)C.
What is the InChIKey of 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide?
The InChIKey is COTPEAMWGJWCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O4S/c1-11-16(5)26-18(14-22(15(3)4)27(10,24)25)20(6,7)13-17(12-2)19(23)21(8)9/h15-18H,11-14H2,1-10H3.
What are the key properties of 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide?
5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide has a molecular weight of 406.63 g/mol, XLogP of 3.37, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide is sourced from PubChem (CID 118241926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).