N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide

C16H23NO2 — CID 88962638

IUPACN-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide
SMILESC#CCCCC=CC=CC(=O)NCC1CCOCC1
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-7-8-9-16(18)17-14-15-10-12-19-13-11-15/h1,6-9,15H,3-5,10-14H2,(H,17,18)
InChIKeyCZQNYPVGNHIAFR-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.45
Rot. Bonds7

About N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide

N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide (PubChem CID 88962638) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide
PubChem CID88962638
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide
SMILESC#CCCCC=CC=CC(=O)NCC1CCOCC1
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-7-8-9-16(18)17-14-15-10-12-19-13-11-15/h1,6-9,15H,3-5,10-14H2,(H,17,18)
InChIKeyCZQNYPVGNHIAFR-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide
CID 123298694
N-(oxolan-3-ylmethyl)non-2-en-8-ynamide
CID 123797132
N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 123263436
(2E,4E)-N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 88991000
(2E,4E)-7-methyl-N-(oxan-4-ylmethyl)octa-2,4-dienamide
CID 88991036
(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 89484445
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
CID 119724916
(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide
CID 134349628
(E)-N-(cyclopropylmethyl)but-2-enamide
CID 22978312
(2E,4E)-N-(2-methylpropyl)-9-(3-trimethylsilylprop-2-ynoxy)nona-2,4-dienamide
CID 158854274
methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 108913044

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide?
The IUPAC name of N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide (CID 88962638) is N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide?
The canonical SMILES for N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide is C#CCCCC=CC=CC(=O)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide?
The InChIKey is CZQNYPVGNHIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-5-6-7-8-9-16(18)17-14-15-10-12-19-13-11-15/h1,6-9,15H,3-5,10-14H2,(H,17,18).
What are the key properties of N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide?
N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide has a molecular weight of 261.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide is sourced from PubChem (CID 88962638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).