2-(ethylamino)-3-nitro-N-pentylbenzamide

C14H21N3O3 — CID 115936323

IUPAC2-(ethylamino)-3-nitro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc([N+](=O)[O-])c1NCC
InChIInChI=1S/C14H21N3O3/c1-3-5-6-10-16-14(18)11-8-7-9-12(17(19)20)13(11)15-4-2/h7-9,15H,3-6,10H2,1-2H3,(H,16,18)
InChIKeyDULLQVYXCJGAMW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.95
Rot. Bonds8

About 2-(ethylamino)-3-nitro-N-pentylbenzamide

2-(ethylamino)-3-nitro-N-pentylbenzamide (PubChem CID 115936323) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(ethylamino)-3-nitro-N-pentylbenzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-nitro-N-pentylbenzamide
PubChem CID115936323
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(ethylamino)-3-nitro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc([N+](=O)[O-])c1NCC
InChIInChI=1S/C14H21N3O3/c1-3-5-6-10-16-14(18)11-8-7-9-12(17(19)20)13(11)15-4-2/h7-9,15H,3-6,10H2,1-2H3,(H,16,18)
InChIKeyDULLQVYXCJGAMW-UHFFFAOYSA-N
XLogP2.95
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
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-(3-ethoxypropyl)-2-(ethylamino)-3-nitrobenzamide
CID 115936439
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
2-amino-3-nitro-N-octylbenzamide
CID 115936915
3-nitro-2-(octylamino)benzoic acid
CID 115932549
2-nitro-N-pentyl-3-(propylamino)benzamide
CID 115548094
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
N-hexadecyl-2-methyl-6-nitrobenzamide
CID 173399090
N-butan-2-yl-2-(ethylamino)-3-nitrobenzamide
CID 112580548
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
3-chloro-4-(ethylamino)-5-nitro-N-pentylbenzamide
CID 62185228

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-nitro-N-pentylbenzamide?
The IUPAC name of 2-(ethylamino)-3-nitro-N-pentylbenzamide (CID 115936323) is 2-(ethylamino)-3-nitro-N-pentylbenzamide.
What is the SMILES notation for 2-(ethylamino)-3-nitro-N-pentylbenzamide?
The canonical SMILES for 2-(ethylamino)-3-nitro-N-pentylbenzamide is CCCCCNC(=O)c1cccc([N+](=O)[O-])c1NCC.
What is the InChIKey of 2-(ethylamino)-3-nitro-N-pentylbenzamide?
The InChIKey is DULLQVYXCJGAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-5-6-10-16-14(18)11-8-7-9-12(17(19)20)13(11)15-4-2/h7-9,15H,3-6,10H2,1-2H3,(H,16,18).
What are the key properties of 2-(ethylamino)-3-nitro-N-pentylbenzamide?
2-(ethylamino)-3-nitro-N-pentylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-nitro-N-pentylbenzamide is sourced from PubChem (CID 115936323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).