N-(2-aminoethyl)dodec-2-enamide

C14H28N2O — CID 142766946

IUPACN-(2-aminoethyl)dodec-2-enamide
SMILESCCCCCCCCCC=CC(=O)NCCN
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15/h10-11H,2-9,12-13,15H2,1H3,(H,16,17)
InChIKeyYECVAWMCFLJWAK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.76
Rot. Bonds11

About N-(2-aminoethyl)dodec-2-enamide

N-(2-aminoethyl)dodec-2-enamide (PubChem CID 142766946) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(2-aminoethyl)dodec-2-enamide.

Molecular Properties

Compound NameN-(2-aminoethyl)dodec-2-enamide
PubChem CID142766946
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(2-aminoethyl)dodec-2-enamide
SMILESCCCCCCCCCC=CC(=O)NCCN
InChIInChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15/h10-11H,2-9,12-13,15H2,1H3,(H,16,17)
InChIKeyYECVAWMCFLJWAK-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)dodec-2-enamide?
The IUPAC name of N-(2-aminoethyl)dodec-2-enamide (CID 142766946) is N-(2-aminoethyl)dodec-2-enamide.
What is the SMILES notation for N-(2-aminoethyl)dodec-2-enamide?
The canonical SMILES for N-(2-aminoethyl)dodec-2-enamide is CCCCCCCCCC=CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)dodec-2-enamide?
The InChIKey is YECVAWMCFLJWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15/h10-11H,2-9,12-13,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminoethyl)dodec-2-enamide?
N-(2-aminoethyl)dodec-2-enamide has a molecular weight of 240.39 g/mol, XLogP of 2.76, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)dodec-2-enamide is sourced from PubChem (CID 142766946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).