11,11-dimethyl-N-propan-2-yldodecanamide

C17H35NO — CID 19880115

IUPAC11,11-dimethyl-N-propan-2-yldodecanamide
SMILESCC(C)NC(=O)CCCCCCCCCC(C)(C)C
InChIInChI=1S/C17H35NO/c1-15(2)18-16(19)13-11-9-7-6-8-10-12-14-17(3,4)5/h15H,6-14H2,1-5H3,(H,18,19)
InChIKeyALGGRXAJTAYKPM-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.07
Rot. Bonds10

About 11,11-dimethyl-N-propan-2-yldodecanamide

11,11-dimethyl-N-propan-2-yldodecanamide (PubChem CID 19880115) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 11,11-dimethyl-N-propan-2-yldodecanamide.

Molecular Properties

Compound Name11,11-dimethyl-N-propan-2-yldodecanamide
PubChem CID19880115
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name11,11-dimethyl-N-propan-2-yldodecanamide
SMILESCC(C)NC(=O)CCCCCCCCCC(C)(C)C
InChIInChI=1S/C17H35NO/c1-15(2)18-16(19)13-11-9-7-6-8-10-12-14-17(3,4)5/h15H,6-14H2,1-5H3,(H,18,19)
InChIKeyALGGRXAJTAYKPM-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-propan-2-yldodecanamide?
The IUPAC name of 11,11-dimethyl-N-propan-2-yldodecanamide (CID 19880115) is 11,11-dimethyl-N-propan-2-yldodecanamide.
What is the SMILES notation for 11,11-dimethyl-N-propan-2-yldodecanamide?
The canonical SMILES for 11,11-dimethyl-N-propan-2-yldodecanamide is CC(C)NC(=O)CCCCCCCCCC(C)(C)C.
What is the InChIKey of 11,11-dimethyl-N-propan-2-yldodecanamide?
The InChIKey is ALGGRXAJTAYKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-15(2)18-16(19)13-11-9-7-6-8-10-12-14-17(3,4)5/h15H,6-14H2,1-5H3,(H,18,19).
What are the key properties of 11,11-dimethyl-N-propan-2-yldodecanamide?
11,11-dimethyl-N-propan-2-yldodecanamide has a molecular weight of 269.47 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-N-propan-2-yldodecanamide is sourced from PubChem (CID 19880115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).