N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide

C15H31NO2 — CID 139317240

IUPACN-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)CCOCCC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)13(17)16-15(6,7)9-11-18-10-8-14(3,4)5/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyWHKJHDXTOBSXGW-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.38
Rot. Bonds7

About N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide

N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide (PubChem CID 139317240) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide
PubChem CID139317240
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)CCOCCC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)13(17)16-15(6,7)9-11-18-10-8-14(3,4)5/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyWHKJHDXTOBSXGW-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-methyl-4-[2-methyl-1-(methylamino)propan-2-yl]oxybutan-2-yl]propanamide
CID 177202356
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
CID 155795090
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-[2-(3,3-dimethylbutoxy)ethyl]-3-(2-methylpropyl)urea
CID 164775026
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
methyl (2R)-3-iodo-2-methyl-2-(2-methylpropanoylamino)propanoate
CID 101206393
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155459719
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide
CID 177228227
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide (CID 139317240) is N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C)(C)CCOCCC(C)(C)C.
What is the InChIKey of N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide?
The InChIKey is WHKJHDXTOBSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)13(17)16-15(6,7)9-11-18-10-8-14(3,4)5/h12H,8-11H2,1-7H3,(H,16,17).
What are the key properties of N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide?
N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide has a molecular weight of 257.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylbutoxy)-2-methylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 139317240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).