2-methyl-3-nitro-N-nonylbenzamide

C17H26N2O3 — CID 4171333

IUPAC2-methyl-3-nitro-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-9-13-18-17(20)15-11-10-12-16(14(15)2)19(21)22/h10-12H,3-9,13H2,1-2H3,(H,18,20)
InChIKeyYTHGHYGDVGEKOT-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.38
Rot. Bonds10

About 2-methyl-3-nitro-N-nonylbenzamide

2-methyl-3-nitro-N-nonylbenzamide (PubChem CID 4171333) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-nonylbenzamide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-nonylbenzamide
PubChem CID4171333
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-methyl-3-nitro-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-9-13-18-17(20)15-11-10-12-16(14(15)2)19(21)22/h10-12H,3-9,13H2,1-2H3,(H,18,20)
InChIKeyYTHGHYGDVGEKOT-UHFFFAOYSA-N
XLogP4.38
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.38
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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Related Compounds

2-amino-3-nitro-N-octylbenzamide
CID 115936915
N-(6-aminohexyl)-2-methyl-3-nitrobenzamide
CID 108786358
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
N-(4-aminobutyl)-2-methyl-3-nitrobenzamide
CID 60895227
methyl 6-[(2-methyl-3-nitrobenzoyl)amino]hexanoate
CID 31541051
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
N-(3-ethoxypropyl)-2-methyl-3-nitrobenzamide
CID 2172330
2-(ethylamino)-3-nitro-N-pentylbenzamide
CID 115936323
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
N-hexadecyl-2-methyl-6-nitrobenzamide
CID 173399090
N-(4-bromopentyl)-2-methyl-3-nitrobenzamide
CID 106130405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-nonylbenzamide?
The IUPAC name of 2-methyl-3-nitro-N-nonylbenzamide (CID 4171333) is 2-methyl-3-nitro-N-nonylbenzamide.
What is the SMILES notation for 2-methyl-3-nitro-N-nonylbenzamide?
The canonical SMILES for 2-methyl-3-nitro-N-nonylbenzamide is CCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-methyl-3-nitro-N-nonylbenzamide?
The InChIKey is YTHGHYGDVGEKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-9-13-18-17(20)15-11-10-12-16(14(15)2)19(21)22/h10-12H,3-9,13H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-3-nitro-N-nonylbenzamide?
2-methyl-3-nitro-N-nonylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-N-nonylbenzamide is sourced from PubChem (CID 4171333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).