2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide

C13H17N3O3 — CID 79851993

IUPAC2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CC2(N)CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c1-9-3-4-10(11(7-9)16(18)19)15-12(17)8-13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17)
InChIKeyAGQSGWDKQKMNGC-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.11
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide

2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 79851993) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID79851993
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CC2(N)CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c1-9-3-4-10(11(7-9)16(18)19)15-12(17)8-13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17)
InChIKeyAGQSGWDKQKMNGC-UHFFFAOYSA-N
XLogP2.11
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.11
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-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(1-aminocyclobutyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 79851412
4-amino-N-(4-methyl-2-nitrophenyl)oxane-4-carboxamide
CID 115293950
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 81179530
2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864692
2-[1-(4-methyl-2-nitroanilino)cyclohexyl]acetic acid
CID 64700603
2-(2-aminoethylsulfanyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 84551895

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide (CID 79851993) is 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CC2(N)CCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is AGQSGWDKQKMNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-3-4-10(11(7-9)16(18)19)15-12(17)8-13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17).
What are the key properties of 2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 2.11, 4 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-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 79851993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).