N-(10-isocyanatodecyl)acetamide

C13H24N2O2 — CID 59428575

IUPACN-(10-isocyanatodecyl)acetamide
SMILESCC(=O)NCCCCCCCCCCN=C=O
InChIInChI=1S/C13H24N2O2/c1-13(17)15-11-9-7-5-3-2-4-6-8-10-14-12-16/h2-11H2,1H3,(H,15,17)
InChIKeyLOHHKDKOCQKIPL-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.58
Rot. Bonds11

About N-(10-isocyanatodecyl)acetamide

N-(10-isocyanatodecyl)acetamide (PubChem CID 59428575) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(10-isocyanatodecyl)acetamide.

Molecular Properties

Compound NameN-(10-isocyanatodecyl)acetamide
PubChem CID59428575
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(10-isocyanatodecyl)acetamide
SMILESCC(=O)NCCCCCCCCCCN=C=O
InChIInChI=1S/C13H24N2O2/c1-13(17)15-11-9-7-5-3-2-4-6-8-10-14-12-16/h2-11H2,1H3,(H,15,17)
InChIKeyLOHHKDKOCQKIPL-UHFFFAOYSA-N
XLogP2.58
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(10-isocyanatodecyl)acetamide?
The IUPAC name of N-(10-isocyanatodecyl)acetamide (CID 59428575) is N-(10-isocyanatodecyl)acetamide.
What is the SMILES notation for N-(10-isocyanatodecyl)acetamide?
The canonical SMILES for N-(10-isocyanatodecyl)acetamide is CC(=O)NCCCCCCCCCCN=C=O.
What is the InChIKey of N-(10-isocyanatodecyl)acetamide?
The InChIKey is LOHHKDKOCQKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(17)15-11-9-7-5-3-2-4-6-8-10-14-12-16/h2-11H2,1H3,(H,15,17).
What are the key properties of N-(10-isocyanatodecyl)acetamide?
N-(10-isocyanatodecyl)acetamide has a molecular weight of 240.35 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-isocyanatodecyl)acetamide is sourced from PubChem (CID 59428575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).