N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide

C26H37NO2 — CID 151157844

IUPACN-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide
SMILESCCCCCCCCCC=CC=CC=CC=CC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C26H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h11-22H,3-10,23H2,1-2H3,(H,27,28)
InChIKeyMZPSUOZMDISMFD-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.68
Rot. Bonds15

About N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide

N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide (PubChem CID 151157844) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide
PubChem CID151157844
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC NameN-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide
SMILESCCCCCCCCCC=CC=CC=CC=CC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C26H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h11-22H,3-10,23H2,1-2H3,(H,27,28)
InChIKeyMZPSUOZMDISMFD-UHFFFAOYSA-N
XLogP6.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.68
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'}

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Related Compounds

N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
CID 14427405
(4E,6E)-1-(3-methoxyphenyl)deca-4,6-dien-3-one
CID 143491361
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
(E)-3-(2-bromophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9495750
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N-hydroxy-N-(3-methoxyphenyl)non-2-enamide
CID 173033279
methyl (2E,4E)-octadeca-2,4,6-trienoate
CID 141180621
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9495702
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide (CID 151157844) is N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide is CCCCCCCCCC=CC=CC=CC=CC(=O)NCc1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide?
The InChIKey is MZPSUOZMDISMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h11-22H,3-10,23H2,1-2H3,(H,27,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide?
N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide has a molecular weight of 395.59 g/mol, XLogP of 6.68, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]octadeca-2,4,6,8-tetraenamide is sourced from PubChem (CID 151157844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).