N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide

C14H19N3O4 — CID 104541091

IUPACN-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide
SMILESCCOC1CC(N)C1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-2-21-12-8-11(15)14(12)16-13(18)7-9-4-3-5-10(6-9)17(19)20/h3-6,11-12,14H,2,7-8,15H2,1H3,(H,16,18)
InChIKeyIMFAMXSJEOGUCS-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.76
Rot. Bonds6

About N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide

N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide (PubChem CID 104541091) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide
PubChem CID104541091
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide
SMILESCCOC1CC(N)C1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-2-21-12-8-11(15)14(12)16-13(18)7-9-4-3-5-10(6-9)17(19)20/h3-6,11-12,14H,2,7-8,15H2,1H3,(H,16,18)
InChIKeyIMFAMXSJEOGUCS-UHFFFAOYSA-N
XLogP0.76
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.76
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-4-nitrobenzamide
CID 66197224
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-(2-amino-4-ethoxycyclobutyl)-3-methoxybenzamide
CID 66195301
N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide
CID 66197030
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
3-ethoxy-2-N-(5-nitro-2-pyridinyl)cyclobutane-1,2-diamine
CID 66196866
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(2-amino-4-ethoxycyclobutyl)-3-ethoxypropanamide
CID 66197212
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide (CID 104541091) is N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide is CCOC1CC(N)C1NC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide?
The InChIKey is IMFAMXSJEOGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-21-12-8-11(15)14(12)16-13(18)7-9-4-3-5-10(6-9)17(19)20/h3-6,11-12,14H,2,7-8,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide?
N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide has a molecular weight of 293.32 g/mol, XLogP of 0.76, 6 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)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 104541091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).