(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide

C34H64N2O2 — CID 101160253

IUPAC(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
SMILESCCCCCCCCCCCCCCNC(=O)/C=C/C=C/C(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C34H64N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-33(37)29-25-26-30-34(38)36-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24,27-28,31-32H2,1-2H3,(H,35,37)(H,36,38)/b29-25+,30-26+
InChIKeyXNZBDIYRUVXYOW-XDHTVYJESA-N
MW532.90 g/mol
LogP9.73
Rot. Bonds29

About (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide

(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide (PubChem CID 101160253) has the molecular formula C34H64N2O2 and a molecular weight of 532.90 g/mol. Its IUPAC name is (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide.

Molecular Properties

Compound Name(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
PubChem CID101160253
Molecular FormulaC34H64N2O2
Molecular Weight532.90 g/mol
Exact Mass532.50
IUPAC Name(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
SMILESCCCCCCCCCCCCCCNC(=O)/C=C/C=C/C(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C34H64N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-33(37)29-25-26-30-34(38)36-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24,27-28,31-32H2,1-2H3,(H,35,37)(H,36,38)/b29-25+,30-26+
InChIKeyXNZBDIYRUVXYOW-XDHTVYJESA-N
XLogP9.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.90
LogP ≤ 59.73
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
N'-hexylbut-2-enediamide
CID 154301502
(Z)-N'-decylbut-2-enediamide
CID 87339219
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
CID 174988746
methyl (Z)-4-(hexylamino)-4-oxobut-2-enoate
CID 6442503
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622
N-heptadecylprop-2-enamide
CID 20727742
(E)-N-butyldec-2-enamide
CID 160628271
N-hexyl-4-iminopent-2-enamide
CID 123662070
ethyl (Z)-4-(dodecylamino)-4-oxobut-2-enoate
CID 139670344
butyl (Z)-4-(dodecylamino)-4-oxobut-2-enoate
CID 139670311
(Z)-4-[[(Z)-docos-13-enyl]amino]-4-oxobut-2-enoic acid
CID 86748487

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide?
The IUPAC name of (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide (CID 101160253) is (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide.
What is the SMILES notation for (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide?
The canonical SMILES for (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide is CCCCCCCCCCCCCCNC(=O)/C=C/C=C/C(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide?
The InChIKey is XNZBDIYRUVXYOW-XDHTVYJESA-N. The full InChI is InChI=1S/C34H64N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-33(37)29-25-26-30-34(38)36-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24,27-28,31-32H2,1-2H3,(H,35,37)(H,36,38)/b29-25+,30-26+.
What are the key properties of (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide?
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide has a molecular weight of 532.90 g/mol, XLogP of 9.73, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide is sourced from PubChem (CID 101160253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).