(2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide

C14H21NO3 — CID 141343515

IUPAC(2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCC1=COCO1
InChIInChI=1S/C14H21NO3/c1-2-3-4-5-6-7-8-9-14(16)15-10-13-11-17-12-18-13/h6-9,11H,2-5,10,12H2,1H3,(H,15,16)/b7-6+,9-8+
InChIKeyCMJMYBPHYZPLFM-BLHCBFLLSA-N
MW251.33 g/mol
LogP2.64
Rot. Bonds8

About (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide

(2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide (PubChem CID 141343515) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide
PubChem CID141343515
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCC1=COCO1
InChIInChI=1S/C14H21NO3/c1-2-3-4-5-6-7-8-9-14(16)15-10-13-11-17-12-18-13/h6-9,11H,2-5,10,12H2,1H3,(H,15,16)/b7-6+,9-8+
InChIKeyCMJMYBPHYZPLFM-BLHCBFLLSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
CID 88991029
(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
CID 88991076
(2E,4E)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide
CID 88991160
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
CID 123257806
N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
CID 123337563
N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
CID 123557082
N-(1,3-dioxolan-4-ylmethyl)nona-2,4-dienamide
CID 123611494
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide
CID 123825073
(2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide
CID 141343517
(2E,4E)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
CID 144451237
(2E,4E)-N-(1,3-dioxolan-4-ylmethyl)nona-2,4-dienamide
CID 144451244

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide (CID 141343515) is (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide is CCCCC/C=C/C=C/C(=O)NCC1=COCO1.
What is the InChIKey of (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide?
The InChIKey is CMJMYBPHYZPLFM-BLHCBFLLSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-4-5-6-7-8-9-14(16)15-10-13-11-17-12-18-13/h6-9,11H,2-5,10,12H2,1H3,(H,15,16)/b7-6+,9-8+.
What are the key properties of (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide?
(2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide has a molecular weight of 251.33 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide is sourced from PubChem (CID 141343515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).