3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide

C19H37NO4 — CID 161203588

IUPAC3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide
SMILESCC(C)(C)CC(=O)NCCCC(=O)CCCOCCOC(C)(C)C
InChIInChI=1S/C19H37NO4/c1-18(2,3)15-17(22)20-11-7-9-16(21)10-8-12-23-13-14-24-19(4,5)6/h7-15H2,1-6H3,(H,20,22)
InChIKeyHYZFLRKECWQLIX-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.50
Rot. Bonds12

About 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide

3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide (PubChem CID 161203588) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide
PubChem CID161203588
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide
SMILESCC(C)(C)CC(=O)NCCCC(=O)CCCOCCOC(C)(C)C
InChIInChI=1S/C19H37NO4/c1-18(2,3)15-17(22)20-11-7-9-16(21)10-8-12-23-13-14-24-19(4,5)6/h7-15H2,1-6H3,(H,20,22)
InChIKeyHYZFLRKECWQLIX-UHFFFAOYSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
1-(3,3-dimethylbutoxy)-6,6-dimethylheptan-4-one;1-[2-(3,3-dimethylbutoxy)ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]-6,6-dimethylheptan-4-one;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-6,6-dimethylheptan-4-one;N-(5,5-dimethylhexyl)-3,3-dimethylbutanamide;2,2,9,9-tetramethyldecan-4-one;2,2,11,11-tetramethyldodecan-4-one;2,2,5,5-tetramethylhexan-3-one;2,2,8,8-tetramethylnonan-4-one;2,2,17,17-tetramethyloctadecan-8-one;2,2,12,12-tetramethyltridecan-4-one;2,2,10,10-tetramethylundecan-4-one
CID 164972210
bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)
CID 164974010
N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;6-[2-(tert-butylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one;7-(tert-butylamino)-1-[(2-methylpropan-2-yl)oxy]heptan-2-one;N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;5-[3-(tert-butylamino)propoxy]-1-[(2-methylpropan-2-yl)oxy]pentan-2-one;N-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]butan-1-amine;2-methyl-N-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methyl-N-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]propan-2-amine)
CID 158704090
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977
N-[2-[4-(tert-butylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;6-[2-(tert-butylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one;N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;5-[3-(tert-butylamino)propoxy]-1-[(2-methylpropan-2-yl)oxy]pentan-2-one;N-[3-[3-(tert-butylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-tert-butyl-4-[2-(tert-butylamino)ethoxy]butan-1-amine;N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]butan-1-amine;N-[3-(4,4-dimethylpentoxy)propyl]-2-methylpropan-2-amine;2-methyl-N-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]propan-2-amine
CID 167562954
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
CID 20736984
N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide
CID 166497218
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 164805844

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide (CID 161203588) is 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide is CC(C)(C)CC(=O)NCCCC(=O)CCCOCCOC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide?
The InChIKey is HYZFLRKECWQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-18(2,3)15-17(22)20-11-7-9-16(21)10-8-12-23-13-14-24-19(4,5)6/h7-15H2,1-6H3,(H,20,22).
What are the key properties of 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide?
3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide has a molecular weight of 343.51 g/mol, XLogP of 3.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide is sourced from PubChem (CID 161203588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).