N-tert-butylundec-10-enamide

C15H29NO — CID 101138268

IUPACN-tert-butylundec-10-enamide
SMILESC=CCCCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO/c1-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)4/h5H,1,6-13H2,2-4H3,(H,16,17)
InChIKeyNLSJLAAEIDCFBM-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.21
Rot. Bonds9

About N-tert-butylundec-10-enamide

N-tert-butylundec-10-enamide (PubChem CID 101138268) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-tert-butylundec-10-enamide.

Molecular Properties

Compound NameN-tert-butylundec-10-enamide
PubChem CID101138268
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-tert-butylundec-10-enamide
SMILESC=CCCCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO/c1-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)4/h5H,1,6-13H2,2-4H3,(H,16,17)
InChIKeyNLSJLAAEIDCFBM-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylundec-10-enamide?
The IUPAC name of N-tert-butylundec-10-enamide (CID 101138268) is N-tert-butylundec-10-enamide.
What is the SMILES notation for N-tert-butylundec-10-enamide?
The canonical SMILES for N-tert-butylundec-10-enamide is C=CCCCCCCCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylundec-10-enamide?
The InChIKey is NLSJLAAEIDCFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)4/h5H,1,6-13H2,2-4H3,(H,16,17).
What are the key properties of N-tert-butylundec-10-enamide?
N-tert-butylundec-10-enamide has a molecular weight of 239.40 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylundec-10-enamide is sourced from PubChem (CID 101138268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).