N-[(2E,4E)-pentadeca-2,4-dienyl]formamide

C16H29NO — CID 121306695

IUPACN-[(2E,4E)-pentadeca-2,4-dienyl]formamide
SMILESCCCCCCCCCC/C=C/C=C/CNC=O
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18/h11-14,16H,2-10,15H2,1H3,(H,17,18)/b12-11+,14-13+
InChIKeySHUFEXHOKCVFJD-LDHFCIDVSA-N
MW251.41 g/mol
LogP4.38
Rot. Bonds13

About N-[(2E,4E)-pentadeca-2,4-dienyl]formamide

N-[(2E,4E)-pentadeca-2,4-dienyl]formamide (PubChem CID 121306695) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[(2E,4E)-pentadeca-2,4-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E,4E)-pentadeca-2,4-dienyl]formamide
PubChem CID121306695
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[(2E,4E)-pentadeca-2,4-dienyl]formamide
SMILESCCCCCCCCCC/C=C/C=C/CNC=O
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18/h11-14,16H,2-10,15H2,1H3,(H,17,18)/b12-11+,14-13+
InChIKeySHUFEXHOKCVFJD-LDHFCIDVSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-hept-2-enyl]formamide
CID 87925184
(22E)-heptatetraconta-22,24-diene
CID 56629131
N-[(E)-oct-1-enyl]formamide
CID 87382221
(9Z,11E)-hexadeca-9,11-dienal
CID 11172431
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
N-[(Z)-octadec-9-enyl]formamide;trihydrochloride
CID 174550663
(2E,4E)-dodeca-2,4-dienal
CID 5367530
icosa-2,4,6-trienal
CID 54359003
(2Z,4E)-heptadeca-2,4-dienal
CID 167495571
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-pentadeca-2,4-dienyl]formamide?
The IUPAC name of N-[(2E,4E)-pentadeca-2,4-dienyl]formamide (CID 121306695) is N-[(2E,4E)-pentadeca-2,4-dienyl]formamide.
What is the SMILES notation for N-[(2E,4E)-pentadeca-2,4-dienyl]formamide?
The canonical SMILES for N-[(2E,4E)-pentadeca-2,4-dienyl]formamide is CCCCCCCCCC/C=C/C=C/CNC=O.
What is the InChIKey of N-[(2E,4E)-pentadeca-2,4-dienyl]formamide?
The InChIKey is SHUFEXHOKCVFJD-LDHFCIDVSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18/h11-14,16H,2-10,15H2,1H3,(H,17,18)/b12-11+,14-13+.
What are the key properties of N-[(2E,4E)-pentadeca-2,4-dienyl]formamide?
N-[(2E,4E)-pentadeca-2,4-dienyl]formamide has a molecular weight of 251.41 g/mol, XLogP of 4.38, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-pentadeca-2,4-dienyl]formamide is sourced from PubChem (CID 121306695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).