N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide

C14H19N3O4 — CID 66197030

IUPACN-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide
SMILESCCOC1CC(N)C1NC(=O)c1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-3-21-12-7-10(15)13(12)16-14(18)9-6-8(2)4-5-11(9)17(19)20/h4-6,10,12-13H,3,7,15H2,1-2H3,(H,16,18)
InChIKeyIRGCQLSZFSTFTR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.14
Rot. Bonds5

About N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide

N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide (PubChem CID 66197030) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide
PubChem CID66197030
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide
SMILESCCOC1CC(N)C1NC(=O)c1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-3-21-12-7-10(15)13(12)16-14(18)9-6-8(2)4-5-11(9)17(19)20/h4-6,10,12-13H,3,7,15H2,1-2H3,(H,16,18)
InChIKeyIRGCQLSZFSTFTR-UHFFFAOYSA-N
XLogP1.14
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-amino-4-ethoxycyclobutyl)-2-fluoro-5-methylbenzamide
CID 66196271
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-nitrobenzamide
CID 66197224
N-(2-amino-4-ethoxycyclobutyl)-5-fluoro-2-methylbenzamide
CID 66196265
N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide
CID 66195481
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-2-nitrobenzamide
CID 65460445
N-(2-amino-4-ethoxycyclobutyl)-2,4-dihydroxybenzamide
CID 66195669
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
CID 66195102
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677163
N-(2-amino-4-ethoxycyclobutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772875

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide (CID 66197030) is N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide is CCOC1CC(N)C1NC(=O)c1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide?
The InChIKey is IRGCQLSZFSTFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-12-7-10(15)13(12)16-14(18)9-6-8(2)4-5-11(9)17(19)20/h4-6,10,12-13H,3,7,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide?
N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 66197030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).