N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide

C21H36N2O2 — CID 142204504

IUPACN-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide
SMILESC=C/C(=C\C)NC(=O)CCCCCCCCC(=O)N/C(=C/CC)CC
InChIInChI=1S/C21H36N2O2/c1-5-15-19(8-4)23-21(25)17-14-12-10-9-11-13-16-20(24)22-18(6-2)7-3/h6-7,15H,2,5,8-14,16-17H2,1,3-4H3,(H,22,24)(H,23,25)/b18-7+,19-15+
InChIKeyBDUOZAPYNBIEGP-GZDKYGJJSA-N
MW348.53 g/mol
LogP5.13
Rot. Bonds14

About N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide

N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide (PubChem CID 142204504) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide.

Molecular Properties

Compound NameN-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide
PubChem CID142204504
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC NameN-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide
SMILESC=C/C(=C\C)NC(=O)CCCCCCCCC(=O)N/C(=C/CC)CC
InChIInChI=1S/C21H36N2O2/c1-5-15-19(8-4)23-21(25)17-14-12-10-9-11-13-16-20(24)22-18(6-2)7-3/h6-7,15H,2,5,8-14,16-17H2,1,3-4H3,(H,22,24)(H,23,25)/b18-7+,19-15+
InChIKeyBDUOZAPYNBIEGP-GZDKYGJJSA-N
XLogP5.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide?
The IUPAC name of N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide (CID 142204504) is N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide.
What is the SMILES notation for N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide?
The canonical SMILES for N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide is C=C/C(=C\C)NC(=O)CCCCCCCCC(=O)N/C(=C/CC)CC.
What is the InChIKey of N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide?
The InChIKey is BDUOZAPYNBIEGP-GZDKYGJJSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-5-15-19(8-4)23-21(25)17-14-12-10-9-11-13-16-20(24)22-18(6-2)7-3/h6-7,15H,2,5,8-14,16-17H2,1,3-4H3,(H,22,24)(H,23,25)/b18-7+,19-15+.
What are the key properties of N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide?
N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide has a molecular weight of 348.53 g/mol, XLogP of 5.13, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide is sourced from PubChem (CID 142204504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).