6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide

C17H33NO3 — CID 163940607

IUPAC6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
SMILESCC(C)CC(=O)CCC(=O)NCCCCCCOC(C)C
InChIInChI=1S/C17H33NO3/c1-14(2)13-16(19)9-10-17(20)18-11-7-5-6-8-12-21-15(3)4/h14-15H,5-13H2,1-4H3,(H,18,20)
InChIKeyXIAJDOIIRVTJSO-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.48
Rot. Bonds13

About 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide

6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide (PubChem CID 163940607) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
PubChem CID163940607
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
SMILESCC(C)CC(=O)CCC(=O)NCCCCCCOC(C)C
InChIInChI=1S/C17H33NO3/c1-14(2)13-16(19)9-10-17(20)18-11-7-5-6-8-12-21-15(3)4/h14-15H,5-13H2,1-4H3,(H,18,20)
InChIKeyXIAJDOIIRVTJSO-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.48
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-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide?
The IUPAC name of 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide (CID 163940607) is 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide?
The canonical SMILES for 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide is CC(C)CC(=O)CCC(=O)NCCCCCCOC(C)C.
What is the InChIKey of 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide?
The InChIKey is XIAJDOIIRVTJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-14(2)13-16(19)9-10-17(20)18-11-7-5-6-8-12-21-15(3)4/h14-15H,5-13H2,1-4H3,(H,18,20).
What are the key properties of 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide?
6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide has a molecular weight of 299.45 g/mol, XLogP of 3.48, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide is sourced from PubChem (CID 163940607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).