N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide

C13H17N3O3 — CID 82989306

IUPACN-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(NC2CC2C)c1
InChIInChI=1S/C13H17N3O3/c1-3-14-13(17)9-4-5-12(16(18)19)11(7-9)15-10-6-8(10)2/h4-5,7-8,10,15H,3,6H2,1-2H3,(H,14,17)
InChIKeyOGEKMYRVEIAKNA-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.16
Rot. Bonds5

About N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide

N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide (PubChem CID 82989306) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide
PubChem CID82989306
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(NC2CC2C)c1
InChIInChI=1S/C13H17N3O3/c1-3-14-13(17)9-4-5-12(16(18)19)11(7-9)15-10-6-8(10)2/h4-5,7-8,10,15H,3,6H2,1-2H3,(H,14,17)
InChIKeyOGEKMYRVEIAKNA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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-(methylamino)-4-nitrobenzamide
CID 62683031
4-[(2-aminocyclopropyl)amino]-N-ethyl-3-nitrobenzamide
CID 82990452
3-amino-N-ethyl-4-[(2-methylcyclopropyl)amino]benzamide
CID 82999769
3-(1,3-dihydroxypropan-2-ylamino)-N-ethyl-4-nitrobenzamide
CID 82988820
N-ethyl-3-[2-(methylamino)ethylamino]-4-nitrobenzamide
CID 82988821
2-[5-(ethylcarbamoyl)-2-nitroanilino]propanoic acid
CID 82988342
5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
CID 65341327
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
N-ethyl-3-(2-methylpentan-3-ylamino)-4-nitrobenzamide
CID 82989839
N-ethyl-4-nitro-3-[2-(propylamino)ethylamino]benzamide
CID 82990107
3-(azetidin-3-yloxy)-N-ethyl-4-nitrobenzamide
CID 82988752
N-ethyl-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-nitrobenzamide
CID 82990089

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide?
The IUPAC name of N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide (CID 82989306) is N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide.
What is the SMILES notation for N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide?
The canonical SMILES for N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide is CCNC(=O)c1ccc([N+](=O)[O-])c(NC2CC2C)c1.
What is the InChIKey of N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide?
The InChIKey is OGEKMYRVEIAKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-14-13(17)9-4-5-12(16(18)19)11(7-9)15-10-6-8(10)2/h4-5,7-8,10,15H,3,6H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide?
N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide is sourced from PubChem (CID 82989306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).