4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide

C18H35NO3 — CID 169317050

IUPAC4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
SMILESCC(C)CCOCCCC(=O)NCCCCCC(=O)C(C)C
InChIInChI=1S/C18H35NO3/c1-15(2)11-14-22-13-8-10-18(21)19-12-7-5-6-9-17(20)16(3)4/h15-16H,5-14H2,1-4H3,(H,19,21)
InChIKeyMBIVUTLCMDQNRE-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.73
Rot. Bonds14

About 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide

4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide (PubChem CID 169317050) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
PubChem CID169317050
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
SMILESCC(C)CCOCCCC(=O)NCCCCCC(=O)C(C)C
InChIInChI=1S/C18H35NO3/c1-15(2)11-14-22-13-8-10-18(21)19-12-7-5-6-9-17(20)16(3)4/h15-16H,5-14H2,1-4H3,(H,19,21)
InChIKeyMBIVUTLCMDQNRE-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.73
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

7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
4-(3-methylbutoxy)-N-(2-methylsulfanyloxyethyl)butanamide
CID 156820137
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
2-methyl-6-[2-(7-methyloctoxy)ethoxy]hexan-3-one
CID 164970854

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide?
The IUPAC name of 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide (CID 169317050) is 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide is CC(C)CCOCCCC(=O)NCCCCCC(=O)C(C)C.
What is the InChIKey of 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide?
The InChIKey is MBIVUTLCMDQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-15(2)11-14-22-13-8-10-18(21)19-12-7-5-6-9-17(20)16(3)4/h15-16H,5-14H2,1-4H3,(H,19,21).
What are the key properties of 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide?
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide has a molecular weight of 313.48 g/mol, XLogP of 3.73, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide is sourced from PubChem (CID 169317050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).