N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide

C13H20N4O4 — CID 66196848

IUPACN-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1cc([N+](=O)[O-])cn1CC
InChIInChI=1S/C13H20N4O4/c1-3-16-7-8(17(19)20)5-10(16)13(18)15-12-9(14)6-11(12)21-4-2/h5,7,9,11-12H,3-4,6,14H2,1-2H3,(H,15,18)
InChIKeyRSNMFYALBMVSBH-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.65
Rot. Bonds6

About N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide

N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide (PubChem CID 66196848) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide
PubChem CID66196848
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1cc([N+](=O)[O-])cn1CC
InChIInChI=1S/C13H20N4O4/c1-3-16-7-8(17(19)20)5-10(16)13(18)15-12-9(14)6-11(12)21-4-2/h5,7,9,11-12H,3-4,6,14H2,1-2H3,(H,15,18)
InChIKeyRSNMFYALBMVSBH-UHFFFAOYSA-N
XLogP0.65
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-ethyl-N-(4-hydroxycyclohexyl)-4-nitropyrrole-2-carboxamide
CID 43639717
N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide
CID 104541091
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-nitrobenzamide
CID 66197224
1-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-nitropyrrole-2-carboxamide
CID 114630719
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 61237906
N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide
CID 66195288
N-(2-amino-4-ethoxycyclobutyl)-5-methyl-2-nitrobenzamide
CID 66197030
N-(2-amino-2-methylpropyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 113282690
1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide
CID 83058880
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-nitropyrrole-2-carboxamide
CID 61246950
N-(2-amino-4-ethoxycyclobutyl)-4-ethoxybenzamide
CID 66195694
(1-ethyl-4-nitropyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43639715

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide (CID 66196848) is N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide is CCOC1CC(N)C1NC(=O)c1cc([N+](=O)[O-])cn1CC.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide?
The InChIKey is RSNMFYALBMVSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-16-7-8(17(19)20)5-10(16)13(18)15-12-9(14)6-11(12)21-4-2/h5,7,9,11-12H,3-4,6,14H2,1-2H3,(H,15,18).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide?
N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-1-ethyl-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 66196848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).