4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol

C20H41NO4 — CID 168959673

IUPAC4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
SMILESCCCCCNC(=O)C(C)(C)CCOC(C)(C)CC(=O)C(C)C.CO
InChIInChI=1S/C19H37NO3.CH4O/c1-8-9-10-12-20-17(22)18(4,5)11-13-23-19(6,7)14-16(21)15(2)3;1-2/h15H,8-14H2,1-7H3,(H,20,22);2H,1H3
InChIKeyDNGWPSUVTSNCRX-UHFFFAOYSA-N
MW359.55 g/mol
LogP3.73
Rot. Bonds12

About 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol

4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol (PubChem CID 168959673) has the molecular formula C20H41NO4 and a molecular weight of 359.55 g/mol. Its IUPAC name is 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol.

Molecular Properties

Compound Name4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
PubChem CID168959673
Molecular FormulaC20H41NO4
Molecular Weight359.55 g/mol
Exact Mass359.30
IUPAC Name4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
SMILESCCCCCNC(=O)C(C)(C)CCOC(C)(C)CC(=O)C(C)C.CO
InChIInChI=1S/C19H37NO3.CH4O/c1-8-9-10-12-20-17(22)18(4,5)11-13-23-19(6,7)14-16(21)15(2)3;1-2/h15H,8-14H2,1-7H3,(H,20,22);2H,1H3
InChIKeyDNGWPSUVTSNCRX-UHFFFAOYSA-N
XLogP3.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
butane;2,2-dimethyl-3-(3-methylhexan-3-yloxy)-N-nonylpropanamide;ethane
CID 177149883
N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide
CID 156710702
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
N-[4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylbutan-2-yl]-N-methylbutanamide
CID 166554576
2,5-dimethyl-5-[3-methyl-3-(2-oxopropoxy)butoxy]hexan-3-one
CID 170001080
2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide
CID 176678896

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol?
The IUPAC name of 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol (CID 168959673) is 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol.
What is the SMILES notation for 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol?
The canonical SMILES for 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol is CCCCCNC(=O)C(C)(C)CCOC(C)(C)CC(=O)C(C)C.CO.
What is the InChIKey of 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol?
The InChIKey is DNGWPSUVTSNCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3.CH4O/c1-8-9-10-12-20-17(22)18(4,5)11-13-23-19(6,7)14-16(21)15(2)3;1-2/h15H,8-14H2,1-7H3,(H,20,22);2H,1H3.
What are the key properties of 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol?
4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol has a molecular weight of 359.55 g/mol, XLogP of 3.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol is sourced from PubChem (CID 168959673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).