4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide

C18H29NO2 — CID 89044870

IUPAC4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide
SMILESCC(C)(C)C(=O)CC(=O)NC1C2CCCC3CC1CC3C2
InChIInChI=1S/C18H29NO2/c1-18(2,3)15(20)10-16(21)19-17-12-6-4-5-11-7-14(17)9-13(11)8-12/h11-14,17H,4-10H2,1-3H3,(H,19,21)
InChIKeyNYXMTZBFPUUXJH-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.32
Rot. Bonds3

About 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide

4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide (PubChem CID 89044870) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide
PubChem CID89044870
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide
SMILESCC(C)(C)C(=O)CC(=O)NC1C2CCCC3CC1CC3C2
InChIInChI=1S/C18H29NO2/c1-18(2,3)15(20)10-16(21)19-17-12-6-4-5-11-7-14(17)9-13(11)8-12/h11-14,17H,4-10H2,1-3H3,(H,19,21)
InChIKeyNYXMTZBFPUUXJH-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide?
The IUPAC name of 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide (CID 89044870) is 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide.
What is the SMILES notation for 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide?
The canonical SMILES for 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide is CC(C)(C)C(=O)CC(=O)NC1C2CCCC3CC1CC3C2.
What is the InChIKey of 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide?
The InChIKey is NYXMTZBFPUUXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)15(20)10-16(21)19-17-12-6-4-5-11-7-14(17)9-13(11)8-12/h11-14,17H,4-10H2,1-3H3,(H,19,21).
What are the key properties of 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide?
4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide has a molecular weight of 291.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-oxo-N-(11-tricyclo[5.3.1.03,9]undecanyl)pentanamide is sourced from PubChem (CID 89044870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).