N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide

C26H43NO — CID 163255517

IUPACN-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC=CC=CC=CC=CCCCCCCCCCCCCCC
InChIInChI=1S/C26H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-26(28)25(2)3/h17-24H,2,4-16H2,1,3H3,(H,27,28)
InChIKeyRECULQIRURSADT-UHFFFAOYSA-N
MW385.64 g/mol
LogP7.95
Rot. Bonds18

About N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide

N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide (PubChem CID 163255517) has the molecular formula C26H43NO and a molecular weight of 385.64 g/mol. Its IUPAC name is N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
PubChem CID163255517
Molecular FormulaC26H43NO
Molecular Weight385.64 g/mol
Exact Mass385.33
IUPAC NameN-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC=CC=CC=CC=CCCCCCCCCCCCCCC
InChIInChI=1S/C26H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-26(28)25(2)3/h17-24H,2,4-16H2,1,3H3,(H,27,28)
InChIKeyRECULQIRURSADT-UHFFFAOYSA-N
XLogP7.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
CID 163255501
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426
2-methylprop-2-enoic acid;octadeca-9,11,13-trienoic acid
CID 174415565
N-[(E)-dec-1-enyl]acetamide
CID 87894534
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
pentadeca-3,5,7-trien-2-one
CID 91106763
(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one
CID 90307096
tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate
CID 132585355
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
CID 102118207
octa-1,3-dienylcarbamothioic S-acid
CID 173191991

Frequently Asked Questions

What is the IUPAC name of N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide?
The IUPAC name of N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide (CID 163255517) is N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide.
What is the SMILES notation for N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide?
The canonical SMILES for N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide is C=C(C)C(=O)NC=CC=CC=CC=CCCCCCCCCCCCCCC.
What is the InChIKey of N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide?
The InChIKey is RECULQIRURSADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-26(28)25(2)3/h17-24H,2,4-16H2,1,3H3,(H,27,28).
What are the key properties of N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide?
N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide has a molecular weight of 385.64 g/mol, XLogP of 7.95, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide is sourced from PubChem (CID 163255517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).