N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide

C25H51NO5 — CID 143784438

IUPACN-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
SMILESCCCCOCCC(C)(C)OCCC(C)(C)NC(=O)COCCC(C)(C)OCCCC
InChIInChI=1S/C25H51NO5/c1-9-11-16-28-18-14-25(7,8)31-20-13-23(3,4)26-22(27)21-29-19-15-24(5,6)30-17-12-10-2/h9-21H2,1-8H3,(H,26,27)
InChIKeyZTIHCKRUPLBHEL-UHFFFAOYSA-N
MW445.69 g/mol
LogP5.28
Rot. Bonds20

About N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide

N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide (PubChem CID 143784438) has the molecular formula C25H51NO5 and a molecular weight of 445.69 g/mol. Its IUPAC name is N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
PubChem CID143784438
Molecular FormulaC25H51NO5
Molecular Weight445.69 g/mol
Exact Mass445.38
IUPAC NameN-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
SMILESCCCCOCCC(C)(C)OCCC(C)(C)NC(=O)COCCC(C)(C)OCCCC
InChIInChI=1S/C25H51NO5/c1-9-11-16-28-18-14-25(7,8)31-20-13-23(3,4)26-22(27)21-29-19-15-24(5,6)30-17-12-10-2/h9-21H2,1-8H3,(H,26,27)
InChIKeyZTIHCKRUPLBHEL-UHFFFAOYSA-N
XLogP5.28
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 55.28
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

2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
CID 119187574
[2-hydroxy-3-[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butoxy]propyl]-trimethylazanium
CID 89209628
4-(3-methyl-3-pentoxybutoxy)butan-1-ol
CID 166741277
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
N-methyl-2-[2-(2-methylpentan-2-yloxy)ethoxy]acetamide
CID 166730060
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
N-[4-(2,5-dimethylnonan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 146359275
2-[2-(methylamino)ethoxy]-N-(2-methylbutan-2-yl)acetamide
CID 62338179
N-[2-methyl-4-(2-methyl-5-propylnonan-2-yl)oxybutan-2-yl]acetamide
CID 139395323
N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
CID 162756252

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide?
The IUPAC name of N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide (CID 143784438) is N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide.
What is the SMILES notation for N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide?
The canonical SMILES for N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide is CCCCOCCC(C)(C)OCCC(C)(C)NC(=O)COCCC(C)(C)OCCCC.
What is the InChIKey of N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide?
The InChIKey is ZTIHCKRUPLBHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO5/c1-9-11-16-28-18-14-25(7,8)31-20-13-23(3,4)26-22(27)21-29-19-15-24(5,6)30-17-12-10-2/h9-21H2,1-8H3,(H,26,27).
What are the key properties of N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide?
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide has a molecular weight of 445.69 g/mol, XLogP of 5.28, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide is sourced from PubChem (CID 143784438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).