10,10-dimethyl-N-propan-2-ylundecanamide

C16H33NO — CID 19922140

IUPAC10,10-dimethyl-N-propan-2-ylundecanamide
SMILESCC(C)NC(=O)CCCCCCCCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-14(2)17-15(18)12-10-8-6-7-9-11-13-16(3,4)5/h14H,6-13H2,1-5H3,(H,17,18)
InChIKeyKYLNKPNQFSBYIZ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.68
Rot. Bonds9

About 10,10-dimethyl-N-propan-2-ylundecanamide

10,10-dimethyl-N-propan-2-ylundecanamide (PubChem CID 19922140) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 10,10-dimethyl-N-propan-2-ylundecanamide.

Molecular Properties

Compound Name10,10-dimethyl-N-propan-2-ylundecanamide
PubChem CID19922140
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name10,10-dimethyl-N-propan-2-ylundecanamide
SMILESCC(C)NC(=O)CCCCCCCCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-14(2)17-15(18)12-10-8-6-7-9-11-13-16(3,4)5/h14H,6-13H2,1-5H3,(H,17,18)
InChIKeyKYLNKPNQFSBYIZ-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.68
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 10,10-dimethyl-N-propan-2-ylundecanamide?
The IUPAC name of 10,10-dimethyl-N-propan-2-ylundecanamide (CID 19922140) is 10,10-dimethyl-N-propan-2-ylundecanamide.
What is the SMILES notation for 10,10-dimethyl-N-propan-2-ylundecanamide?
The canonical SMILES for 10,10-dimethyl-N-propan-2-ylundecanamide is CC(C)NC(=O)CCCCCCCCC(C)(C)C.
What is the InChIKey of 10,10-dimethyl-N-propan-2-ylundecanamide?
The InChIKey is KYLNKPNQFSBYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)17-15(18)12-10-8-6-7-9-11-13-16(3,4)5/h14H,6-13H2,1-5H3,(H,17,18).
What are the key properties of 10,10-dimethyl-N-propan-2-ylundecanamide?
10,10-dimethyl-N-propan-2-ylundecanamide has a molecular weight of 255.45 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-N-propan-2-ylundecanamide is sourced from PubChem (CID 19922140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).