4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide

C15H21N3O3 — CID 115673070

IUPAC4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)NC2(CC)CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-3-15(8-5-9-15)17-14(19)11-6-7-12(16-4-2)13(10-11)18(20)21/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyHUSZVKUUMDNTKU-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.09
Rot. Bonds6

About 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide

4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide (PubChem CID 115673070) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide
PubChem CID115673070
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)NC2(CC)CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-3-15(8-5-9-15)17-14(19)11-6-7-12(16-4-2)13(10-11)18(20)21/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyHUSZVKUUMDNTKU-UHFFFAOYSA-N
XLogP3.09
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.09
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

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CID 113248304
N-(1-adamantyl)-4-(ethylamino)-3-nitrobenzamide
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CID 61465473
4-(ethylamino)-3-nitro-N-(thian-4-yl)benzamide
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4-[(1-hydroxycyclobutyl)methylamino]-3-nitro-N-propan-2-ylbenzamide
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N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide
CID 62180552
4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide
CID 62200101
N-[1-(hydroxymethyl)cyclobutyl]-4-methylsulfanyl-3-nitrobenzamide
CID 115877899
1-[4-[(1-ethylcyclopropyl)methylamino]-3-nitrophenyl]ethanone
CID 133338387
N-(1-ethylcyclobutyl)-2,5-difluoro-3-nitrobenzamide
CID 107122311
4-[(1-aminocyclobutyl)methylamino]-N,N-dimethyl-3-nitrobenzamide
CID 103354037
[4-(ethylamino)-3-nitrophenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358178

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide?
The IUPAC name of 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide (CID 115673070) is 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide?
The canonical SMILES for 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide is CCNc1ccc(C(=O)NC2(CC)CCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide?
The InChIKey is HUSZVKUUMDNTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(8-5-9-15)17-14(19)11-6-7-12(16-4-2)13(10-11)18(20)21/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide?
4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide is sourced from PubChem (CID 115673070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).