N-cyclododecyl-4-nitrobenzamide

C19H28N2O3 — CID 19168070

IUPACN-cyclododecyl-4-nitrobenzamide
SMILESO=C(NC1CCCCCCCCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H28N2O3/c22-19(16-12-14-18(15-13-16)21(23)24)20-17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2,(H,20,22)
InChIKeyVIKKRJNLAUJPMA-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.00
Rot. Bonds3

About N-cyclododecyl-4-nitrobenzamide

N-cyclododecyl-4-nitrobenzamide (PubChem CID 19168070) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-cyclododecyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclododecyl-4-nitrobenzamide
PubChem CID19168070
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-cyclododecyl-4-nitrobenzamide
SMILESO=C(NC1CCCCCCCCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H28N2O3/c22-19(16-12-14-18(15-13-16)21(23)24)20-17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2,(H,20,22)
InChIKeyVIKKRJNLAUJPMA-UHFFFAOYSA-N
XLogP5.00
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-nitrobenzamide
CID 12074090
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633273
N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 11451364
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-4-nitrobenzamide?
The IUPAC name of N-cyclododecyl-4-nitrobenzamide (CID 19168070) is N-cyclododecyl-4-nitrobenzamide.
What is the SMILES notation for N-cyclododecyl-4-nitrobenzamide?
The canonical SMILES for N-cyclododecyl-4-nitrobenzamide is O=C(NC1CCCCCCCCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-cyclododecyl-4-nitrobenzamide?
The InChIKey is VIKKRJNLAUJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19(16-12-14-18(15-13-16)21(23)24)20-17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2,(H,20,22).
What are the key properties of N-cyclododecyl-4-nitrobenzamide?
N-cyclododecyl-4-nitrobenzamide has a molecular weight of 332.44 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-4-nitrobenzamide is sourced from PubChem (CID 19168070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).