N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide

C13H17N3O3 — CID 62414267

IUPACN-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC1
InChIInChI=1S/C13H17N3O3/c1-2-14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-3-5-9/h6-9,14H,2-5H2,1H3,(H,15,17)
InChIKeyOLLIAQFGDDVQOW-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.31
Rot. Bonds5

About N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide

N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide (PubChem CID 62414267) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
PubChem CID62414267
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC1
InChIInChI=1S/C13H17N3O3/c1-2-14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-3-5-9/h6-9,14H,2-5H2,1H3,(H,15,17)
InChIKeyOLLIAQFGDDVQOW-UHFFFAOYSA-N
XLogP2.31
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
N-cyclohexyl-2-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethylamino]-5-nitrobenzamide
CID 2968761
2-butoxy-N-cyclohexyl-5-nitrobenzamide
CID 139678176
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 62178015
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide?
The IUPAC name of N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide (CID 62414267) is N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide.
What is the SMILES notation for N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide?
The canonical SMILES for N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide is CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide?
The InChIKey is OLLIAQFGDDVQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-3-5-9/h6-9,14H,2-5H2,1H3,(H,15,17).
What are the key properties of N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide?
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide is sourced from PubChem (CID 62414267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).