(2E)-N,2-di(ethylidene)docosanamide

C26H49NO — CID 166515128

IUPAC(2E)-N,2-di(ethylidene)docosanamide
SMILESC/C=N/C(=O)/C(=C/C)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H49NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(5-2)26(28)27-6-3/h5-6H,4,7-24H2,1-3H3/b25-5+,27-6+
InChIKeyISPMKIASWDCPJG-CBCWCFBXSA-N
MW391.68 g/mol
LogP8.98
Rot. Bonds20

About (2E)-N,2-di(ethylidene)docosanamide

(2E)-N,2-di(ethylidene)docosanamide (PubChem CID 166515128) has the molecular formula C26H49NO and a molecular weight of 391.68 g/mol. Its IUPAC name is (2E)-N,2-di(ethylidene)docosanamide.

Molecular Properties

Compound Name(2E)-N,2-di(ethylidene)docosanamide
PubChem CID166515128
Molecular FormulaC26H49NO
Molecular Weight391.68 g/mol
Exact Mass391.38
IUPAC Name(2E)-N,2-di(ethylidene)docosanamide
SMILESC/C=N/C(=O)/C(=C/C)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H49NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(5-2)26(28)27-6-3/h5-6H,4,7-24H2,1-3H3/b25-5+,27-6+
InChIKeyISPMKIASWDCPJG-CBCWCFBXSA-N
XLogP8.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-propylideneoctadec-9-enamide
CID 88712360
(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one
CID 126707093
3-Octylpyrrol-2-one
CID 140967878
3-Butylpyrrol-2-one
CID 140993562
3-Pentylpyrrol-2-one
CID 141007598
3-Dodecylazepin-2-one
CID 141035638
3-Hexadecylpyrrol-2-one
CID 150024905
(Z,2E)-N,2-di(ethylidene)octadec-9-enamide
CID 166515126
(Z,2E)-N,2-di(ethylidene)docos-13-enamide
CID 166515127
(2E)-N,2-di(propylidene)octadecanamide
CID 166515129
3-(2-Oxoheptyl)pyrrol-2-one
CID 167595100
1-(2-Oxopyrrol-3-yl)tridecane-2,4-dione
CID 167600069

Frequently Asked Questions

What is the IUPAC name of (2E)-N,2-di(ethylidene)docosanamide?
The IUPAC name of (2E)-N,2-di(ethylidene)docosanamide (CID 166515128) is (2E)-N,2-di(ethylidene)docosanamide.
What is the SMILES notation for (2E)-N,2-di(ethylidene)docosanamide?
The canonical SMILES for (2E)-N,2-di(ethylidene)docosanamide is C/C=N/C(=O)/C(=C/C)CCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of (2E)-N,2-di(ethylidene)docosanamide?
The InChIKey is ISPMKIASWDCPJG-CBCWCFBXSA-N. The full InChI is InChI=1S/C26H49NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(5-2)26(28)27-6-3/h5-6H,4,7-24H2,1-3H3/b25-5+,27-6+.
What are the key properties of (2E)-N,2-di(ethylidene)docosanamide?
(2E)-N,2-di(ethylidene)docosanamide has a molecular weight of 391.68 g/mol, XLogP of 8.98, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,2-di(ethylidene)docosanamide is sourced from PubChem (CID 166515128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).