4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide

C21H43NO2 — CID 89001620

IUPAC4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide
SMILESCC(C)CCOC(C)(C)CCNC(=O)CCC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H43NO2/c1-17(2)11-15-24-21(8,9)13-14-22-18(23)10-12-20(6,7)16-19(3,4)5/h17H,10-16H2,1-9H3,(H,22,23)
InChIKeyIKOFQFFXWDAPNC-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.58
Rot. Bonds11

About 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide

4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide (PubChem CID 89001620) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide
PubChem CID89001620
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide
SMILESCC(C)CCOC(C)(C)CCNC(=O)CCC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H43NO2/c1-17(2)11-15-24-21(8,9)13-14-22-18(23)10-12-20(6,7)16-19(3,4)5/h17H,10-16H2,1-9H3,(H,22,23)
InChIKeyIKOFQFFXWDAPNC-UHFFFAOYSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide?
The IUPAC name of 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide (CID 89001620) is 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide.
What is the SMILES notation for 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide?
The canonical SMILES for 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide is CC(C)CCOC(C)(C)CCNC(=O)CCC(C)(C)CC(C)(C)C.
What is the InChIKey of 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide?
The InChIKey is IKOFQFFXWDAPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-17(2)11-15-24-21(8,9)13-14-22-18(23)10-12-20(6,7)16-19(3,4)5/h17H,10-16H2,1-9H3,(H,22,23).
What are the key properties of 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide?
4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide has a molecular weight of 341.58 g/mol, XLogP of 5.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-N-[3-methyl-3-(3-methylbutoxy)butyl]heptanamide is sourced from PubChem (CID 89001620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).