N-(2-methoxy-4-nitrophenyl)octadecanamide

C25H42N2O4 — CID 108745127

IUPACN-(2-methoxy-4-nitrophenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C25H42N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)26-23-20-19-22(27(29)30)21-24(23)31-2/h19-21H,3-18H2,1-2H3,(H,26,28)
InChIKeyVCJUANIJGKQNEP-UHFFFAOYSA-N
MW434.62 g/mol
LogP7.80
Rot. Bonds19

About N-(2-methoxy-4-nitrophenyl)octadecanamide

N-(2-methoxy-4-nitrophenyl)octadecanamide (PubChem CID 108745127) has the molecular formula C25H42N2O4 and a molecular weight of 434.62 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)octadecanamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)octadecanamide
PubChem CID108745127
Molecular FormulaC25H42N2O4
Molecular Weight434.62 g/mol
Exact Mass434.31
IUPAC NameN-(2-methoxy-4-nitrophenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C25H42N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)26-23-20-19-22(27(29)30)21-24(23)31-2/h19-21H,3-18H2,1-2H3,(H,26,28)
InChIKeyVCJUANIJGKQNEP-UHFFFAOYSA-N
XLogP7.80
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-[(2-methoxy-4-nitrophenyl)carbamothioyl]tetradecanamide
CID 54791153
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 33403782
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(5-nitro-2-propoxyphenyl)decanamide
CID 23276615
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)octadecanamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)octadecanamide (CID 108745127) is N-(2-methoxy-4-nitrophenyl)octadecanamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)octadecanamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)octadecanamide?
The InChIKey is VCJUANIJGKQNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)26-23-20-19-22(27(29)30)21-24(23)31-2/h19-21H,3-18H2,1-2H3,(H,26,28).
What are the key properties of N-(2-methoxy-4-nitrophenyl)octadecanamide?
N-(2-methoxy-4-nitrophenyl)octadecanamide has a molecular weight of 434.62 g/mol, XLogP of 7.80, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)octadecanamide is sourced from PubChem (CID 108745127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).