N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide

C16H31NO3 — CID 159080379

IUPACN-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide
SMILESCC(C)(C)CC(=O)CCCCOCC(=O)NC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-15(2,3)11-13(18)9-7-8-10-20-12-14(19)17-16(4,5)6/h7-12H2,1-6H3,(H,17,19)
InChIKeyKATYQQAMNXIHKV-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.09
Rot. Bonds8

About N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide

N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide (PubChem CID 159080379) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide
PubChem CID159080379
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC NameN-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide
SMILESCC(C)(C)CC(=O)CCCCOCC(=O)NC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-15(2,3)11-13(18)9-7-8-10-20-12-14(19)17-16(4,5)6/h7-12H2,1-6H3,(H,17,19)
InChIKeyKATYQQAMNXIHKV-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 138656709
N-[2-[2-(tert-butylamino)-2-oxoethoxy]ethyl]-2,2-dimethylpropanamide;N-tert-butyl-2-[2-(tert-butylamino)-2-oxoethoxy]acetamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;6-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;N-[2-[2-[2-[2-(4,4-dimethyl-2-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 158508249
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
N-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 146605936
N-tert-butyl-7-prop-2-enoxyheptanamide
CID 59532861
N,N'-ditert-butylhexanediamide
CID 3593481
6-[4-(tert-butylamino)butoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one
CID 157233613
1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea
CID 159147171
2-(2-amino-2-methylpropoxy)-N-tert-butylacetamide
CID 64537989
N-[2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 166717971
N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide
CID 130398409
N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)
CID 162144687

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide (CID 159080379) is N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide is CC(C)(C)CC(=O)CCCCOCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide?
The InChIKey is KATYQQAMNXIHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-15(2,3)11-13(18)9-7-8-10-20-12-14(19)17-16(4,5)6/h7-12H2,1-6H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide?
N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide has a molecular weight of 285.43 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(7,7-dimethyl-5-oxooctoxy)acetamide is sourced from PubChem (CID 159080379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).