3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide

C23H47NO3 — CID 130346737

IUPAC3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCOC(C)(C)CCOC(C)(C)CC(=O)N(CC(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C23H47NO3/c1-18(2)16-24(21(6,7)17-20(3,4)5)19(25)15-23(10,11)27-14-13-22(8,9)26-12/h18H,13-17H2,1-12H3
InChIKeyXXJXQZLGLRMUDH-UHFFFAOYSA-N
MW385.63 g/mol
LogP5.69
Rot. Bonds11

About 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide

3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 130346737) has the molecular formula C23H47NO3 and a molecular weight of 385.63 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID130346737
Molecular FormulaC23H47NO3
Molecular Weight385.63 g/mol
Exact Mass385.36
IUPAC Name3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCOC(C)(C)CCOC(C)(C)CC(=O)N(CC(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C23H47NO3/c1-18(2)16-24(21(6,7)17-20(3,4)5)19(25)15-23(10,11)27-14-13-22(8,9)26-12/h18H,13-17H2,1-12H3
InChIKeyXXJXQZLGLRMUDH-UHFFFAOYSA-N
XLogP5.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.63
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-N-(2,4-dimethyl-4-sulfanylpentan-2-yl)-3-(3-methoxy-3-methylbutoxy)-3-methylbutanamide
CID 174250840
3-(3-methoxy-3-methylpentoxy)-3-methyl-N-(2,4,4-trimethylhexan-3-yl)-N-(3,5,5-trimethylhexan-3-yl)butanamide
CID 142339857
tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
CID 88982761
3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
CID 123396731
4-(2,2-dimethylpropyl)-2-(3-methoxy-3-methylbutoxy)-2,4,5,5-tetramethylheptan-3-one
CID 89314880
3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
N-[4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylbutan-2-yl]-N-methylbutanamide
CID 166554576
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482
propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
CID 167513215
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 130346737) is 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide is COC(C)(C)CCOC(C)(C)CC(=O)N(CC(C)C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is XXJXQZLGLRMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO3/c1-18(2)16-24(21(6,7)17-20(3,4)5)19(25)15-23(10,11)27-14-13-22(8,9)26-12/h18H,13-17H2,1-12H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 385.63 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 130346737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).