N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide

C26H36N2O3 — CID 53394071

IUPACN-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(23-21-24)28(30)31/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,27,29)
InChIKeyPBMVYDNBOIVHBO-UHFFFAOYSA-N
MW424.59 g/mol
LogP7.68
Rot. Bonds16

About N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide

N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide (PubChem CID 53394071) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
PubChem CID53394071
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(23-21-24)28(30)31/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,27,29)
InChIKeyPBMVYDNBOIVHBO-UHFFFAOYSA-N
XLogP7.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide
CID 130441271
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide
CID 9082113
N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
CID 54249873
N-(4-amino-3-nitrophenyl)hexadecanamide
CID 71443748

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide (CID 53394071) is N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is PBMVYDNBOIVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(23-21-24)28(30)31/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,27,29).
What are the key properties of N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide?
N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 424.59 g/mol, XLogP of 7.68, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 53394071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).