3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide

C15H21N3O3 — CID 114540515

IUPAC3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
SMILESCCNc1cccc(C(=O)NC2CCC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-3-16-13-6-4-5-12(14(13)18(20)21)15(19)17-11-8-7-10(2)9-11/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyZVUAVPXKPLDRDT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.94
Rot. Bonds5

About 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide

3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide (PubChem CID 114540515) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
PubChem CID114540515
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
SMILESCCNc1cccc(C(=O)NC2CCC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-3-16-13-6-4-5-12(14(13)18(20)21)15(19)17-11-8-7-10(2)9-11/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyZVUAVPXKPLDRDT-UHFFFAOYSA-N
XLogP2.94
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.94
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

3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114540639
2-(ethylamino)-N-(3-methylcyclohexyl)benzamide
CID 62169337
2-nitro-3-(propylamino)-N-(thiolan-3-yl)benzamide
CID 103064701
2-(ethylamino)-N-(4-methylcyclohexyl)benzamide
CID 62171591
N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide
CID 80792309
3-(ethylamino)-N-(2-methylsulfanylethyl)-2-nitrobenzamide
CID 115549100
3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66033111
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
4-(ethylamino)-6-methyl-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540554
N,N-diethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548208
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-nitrobenzoic acid
CID 115542191
N-cyclopropyl-3-nitro-2-(propylamino)benzamide
CID 112580551

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The IUPAC name of 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide (CID 114540515) is 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The canonical SMILES for 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide is CCNc1cccc(C(=O)NC2CCC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide?
The InChIKey is ZVUAVPXKPLDRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-16-13-6-4-5-12(14(13)18(20)21)15(19)17-11-8-7-10(2)9-11/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,19).
What are the key properties of 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide?
3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide is sourced from PubChem (CID 114540515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).