N-tert-butyl-11,11-dimethyl-10-oxododecanamide

C18H35NO2 — CID 176809093

IUPACN-tert-butyl-11,11-dimethyl-10-oxododecanamide
SMILESCC(C)(C)NC(=O)CCCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C18H35NO2/c1-17(2,3)15(20)13-11-9-7-8-10-12-14-16(21)19-18(4,5)6/h7-14H2,1-6H3,(H,19,21)
InChIKeyJUBOCUQBPZJEDL-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.64
Rot. Bonds9

About N-tert-butyl-11,11-dimethyl-10-oxododecanamide

N-tert-butyl-11,11-dimethyl-10-oxododecanamide (PubChem CID 176809093) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-tert-butyl-11,11-dimethyl-10-oxododecanamide.

Molecular Properties

Compound NameN-tert-butyl-11,11-dimethyl-10-oxododecanamide
PubChem CID176809093
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-tert-butyl-11,11-dimethyl-10-oxododecanamide
SMILESCC(C)(C)NC(=O)CCCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C18H35NO2/c1-17(2,3)15(20)13-11-9-7-8-10-12-14-16(21)19-18(4,5)6/h7-14H2,1-6H3,(H,19,21)
InChIKeyJUBOCUQBPZJEDL-UHFFFAOYSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 139546409
N-tert-butylhex-5-enamide
CID 15640339
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N-tert-butyl-7-prop-2-enoxyheptanamide
CID 59532861
(2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide
CID 58491825
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-11,11-dimethyl-10-oxododecanamide?
The IUPAC name of N-tert-butyl-11,11-dimethyl-10-oxododecanamide (CID 176809093) is N-tert-butyl-11,11-dimethyl-10-oxododecanamide.
What is the SMILES notation for N-tert-butyl-11,11-dimethyl-10-oxododecanamide?
The canonical SMILES for N-tert-butyl-11,11-dimethyl-10-oxododecanamide is CC(C)(C)NC(=O)CCCCCCCCC(=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-11,11-dimethyl-10-oxododecanamide?
The InChIKey is JUBOCUQBPZJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-17(2,3)15(20)13-11-9-7-8-10-12-14-16(21)19-18(4,5)6/h7-14H2,1-6H3,(H,19,21).
What are the key properties of N-tert-butyl-11,11-dimethyl-10-oxododecanamide?
N-tert-butyl-11,11-dimethyl-10-oxododecanamide has a molecular weight of 297.48 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-11,11-dimethyl-10-oxododecanamide is sourced from PubChem (CID 176809093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).