N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide

C15H23N3O3 — CID 82989839

IUPACN-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(NC(CC)C(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-13-9-11(15(19)16-6-2)7-8-14(13)18(20)21/h7-10,12,17H,5-6H2,1-4H3,(H,16,19)
InChIKeyUMWDWLUXLNGFBU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.19
Rot. Bonds7

About N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide

N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide (PubChem CID 82989839) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide
PubChem CID82989839
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(NC(CC)C(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-13-9-11(15(19)16-6-2)7-8-14(13)18(20)21/h7-10,12,17H,5-6H2,1-4H3,(H,16,19)
InChIKeyUMWDWLUXLNGFBU-UHFFFAOYSA-N
XLogP3.19
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.19
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

N-ethyl-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-nitrobenzamide
CID 82990089
2-[5-(ethylcarbamoyl)-2-nitroanilino]propanoic acid
CID 82988342
3-(1,3-dihydroxypropan-2-ylamino)-N-ethyl-4-nitrobenzamide
CID 82988820
N-ethyl-3-(1-methoxypropan-2-ylamino)-4-nitrobenzamide
CID 82988680
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
N-ethyl-3-(3-hydroxybutylamino)-4-nitrobenzamide
CID 82988616
N-ethyl-4-(1-hydroxybutan-2-ylamino)-3-nitrobenzamide
CID 82989906
N-ethyl-3-nitro-4-(pentan-2-ylamino)benzamide
CID 82990993
N-ethyl-4-(2-methylpropylamino)-3-nitrobenzamide
CID 82993350
3-[(1-amino-3-methylbutan-2-yl)amino]-4-nitrobenzamide
CID 82994831
N-ethyl-3-[2-(methylamino)ethylamino]-4-nitrobenzamide
CID 82988821

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide?
The IUPAC name of N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide (CID 82989839) is N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide.
What is the SMILES notation for N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide?
The canonical SMILES for N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide is CCNC(=O)c1ccc([N+](=O)[O-])c(NC(CC)C(C)C)c1.
What is the InChIKey of N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide?
The InChIKey is UMWDWLUXLNGFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-12(10(3)4)17-13-9-11(15(19)16-6-2)7-8-14(13)18(20)21/h7-10,12,17H,5-6H2,1-4H3,(H,16,19).
What are the key properties of N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide?
N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide is sourced from PubChem (CID 82989839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).