2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide

C14H19N3O3 — CID 79853814

IUPAC2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2(N)CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-2-10-4-5-11(8-12(10)17(19)20)16-13(18)9-14(15)6-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3,(H,16,18)
InChIKeyYOKVTQFUUKNDQZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.37
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide

2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide (PubChem CID 79853814) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
PubChem CID79853814
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2(N)CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-2-10-4-5-11(8-12(10)17(19)20)16-13(18)9-14(15)6-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3,(H,16,18)
InChIKeyYOKVTQFUUKNDQZ-UHFFFAOYSA-N
XLogP2.37
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.37
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

2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79853601
2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864692
3-amino-N-(4-ethyl-3-nitrophenyl)oxolane-3-carboxamide
CID 64893968
4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide
CID 115294049
2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 79851993
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
CID 34655093
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
CID 103928945

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide (CID 79853814) is 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide is CCc1ccc(NC(=O)CC2(N)CCC2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide?
The InChIKey is YOKVTQFUUKNDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-10-4-5-11(8-12(10)17(19)20)16-13(18)9-14(15)6-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3,(H,16,18).
What are the key properties of 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide?
2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 79853814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).