(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide

C16H27NO3 — CID 88736405

IUPAC(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide
SMILESCCCCCCC/C=C/C(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-16(18)17(10-14-12-19-14)11-15-13-20-15/h8-9,14-15H,2-7,10-13H2,1H3/b9-8+
InChIKeyOSIYOMRZTYQGHC-CMDGGOBGSA-N
MW281.40 g/mol
LogP2.53
Rot. Bonds11

About (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide

(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide (PubChem CID 88736405) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide
PubChem CID88736405
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide
SMILESCCCCCCC/C=C/C(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-16(18)17(10-14-12-19-14)11-15-13-20-15/h8-9,14-15H,2-7,10-13H2,1H3/b9-8+
InChIKeyOSIYOMRZTYQGHC-CMDGGOBGSA-N
XLogP2.53
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-ylmethyl 2-methylidenetetradec-3-enoate
CID 156787932
N-ethyl-N-propyldec-2-enamide
CID 123659477
N,N-bis[(2-methyloxiran-2-yl)methyl]nonadec-2-enamide
CID 88736763
N,N-dimethylpentadec-2-enamide
CID 123899063
N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide
CID 123248308
oxiran-2-ylmethyl 12-methoxyoctadec-2-enoate
CID 139807441
octadec-9-enoic acid;oxiran-2-ylmethanol
CID 173054254
2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide
CID 88735263
2-nonadec-10-enyloxirane
CID 54194145
2-octadec-9-enyloxirane;phosphoric acid
CID 173288867
oxiran-2-ylmethyl (E)-undec-5-enoate
CID 102240282
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide?
The IUPAC name of (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide (CID 88736405) is (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide.
What is the SMILES notation for (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide?
The canonical SMILES for (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide is CCCCCCC/C=C/C(=O)N(CC1CO1)CC1CO1.
What is the InChIKey of (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide?
The InChIKey is OSIYOMRZTYQGHC-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-16(18)17(10-14-12-19-14)11-15-13-20-15/h8-9,14-15H,2-7,10-13H2,1H3/b9-8+.
What are the key properties of (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide?
(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide has a molecular weight of 281.40 g/mol, XLogP of 2.53, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide is sourced from PubChem (CID 88736405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).