(E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide

C18H36N2O — CID 57331200

IUPAC(E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide
SMILESCCCCCCC/C=C/C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-13-18(21)19-14-15-20(16(2)3)17(4)5/h12-13,16-17H,6-11,14-15H2,1-5H3,(H,19,21)/b13-12+
InChIKeyYSTGNCNTLXVBAQ-OUKQBFOZSA-N
MW296.50 g/mol
LogP4.14
Rot. Bonds12

About (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide

(E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide (PubChem CID 57331200) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide
PubChem CID57331200
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name(E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide
SMILESCCCCCCC/C=C/C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-13-18(21)19-14-15-20(16(2)3)17(4)5/h12-13,16-17H,6-11,14-15H2,1-5H3,(H,19,21)/b13-12+
InChIKeyYSTGNCNTLXVBAQ-OUKQBFOZSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
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 (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide?
The IUPAC name of (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide (CID 57331200) is (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide.
What is the SMILES notation for (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide?
The canonical SMILES for (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide is CCCCCCC/C=C/C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide?
The InChIKey is YSTGNCNTLXVBAQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-13-18(21)19-14-15-20(16(2)3)17(4)5/h12-13,16-17H,6-11,14-15H2,1-5H3,(H,19,21)/b13-12+.
What are the key properties of (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide?
(E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide has a molecular weight of 296.50 g/mol, XLogP of 4.14, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[di(propan-2-yl)amino]ethyl]dec-2-enamide is sourced from PubChem (CID 57331200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).