N-decyl-4-nitrobenzamide

C17H26N2O3 — CID 3414942

IUPACN-decyl-4-nitrobenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-8-9-14-18-17(20)15-10-12-16(13-11-15)19(21)22/h10-13H,2-9,14H2,1H3,(H,18,20)
InChIKeyZHJCYIYHOOGPQR-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.47
Rot. Bonds11

About N-decyl-4-nitrobenzamide

N-decyl-4-nitrobenzamide (PubChem CID 3414942) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-decyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-decyl-4-nitrobenzamide
PubChem CID3414942
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-decyl-4-nitrobenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-8-9-14-18-17(20)15-10-12-16(13-11-15)19(21)22/h10-13H,2-9,14H2,1H3,(H,18,20)
InChIKeyZHJCYIYHOOGPQR-UHFFFAOYSA-N
XLogP4.47
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-decyl-4-nitrobenzamide?
The IUPAC name of N-decyl-4-nitrobenzamide (CID 3414942) is N-decyl-4-nitrobenzamide.
What is the SMILES notation for N-decyl-4-nitrobenzamide?
The canonical SMILES for N-decyl-4-nitrobenzamide is CCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-decyl-4-nitrobenzamide?
The InChIKey is ZHJCYIYHOOGPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-8-9-14-18-17(20)15-10-12-16(13-11-15)19(21)22/h10-13H,2-9,14H2,1H3,(H,18,20).
What are the key properties of N-decyl-4-nitrobenzamide?
N-decyl-4-nitrobenzamide has a molecular weight of 306.41 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-nitrobenzamide is sourced from PubChem (CID 3414942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).