N-(3-aminophenyl)-4-cyclobutyloxybutanamide

C14H20N2O2 — CID 62116624

IUPACN-(3-aminophenyl)-4-cyclobutyloxybutanamide
SMILESNc1cccc(NC(=O)CCCOC2CCC2)c1
InChIInChI=1S/C14H20N2O2/c15-11-4-1-5-12(10-11)16-14(17)8-3-9-18-13-6-2-7-13/h1,4-5,10,13H,2-3,6-9,15H2,(H,16,17)
InChIKeyYXSUDLUWAIEXKM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.56
Rot. Bonds6

About N-(3-aminophenyl)-4-cyclobutyloxybutanamide

N-(3-aminophenyl)-4-cyclobutyloxybutanamide (PubChem CID 62116624) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-cyclobutyloxybutanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-cyclobutyloxybutanamide
PubChem CID62116624
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-aminophenyl)-4-cyclobutyloxybutanamide
SMILESNc1cccc(NC(=O)CCCOC2CCC2)c1
InChIInChI=1S/C14H20N2O2/c15-11-4-1-5-12(10-11)16-14(17)8-3-9-18-13-6-2-7-13/h1,4-5,10,13H,2-3,6-9,15H2,(H,16,17)
InChIKeyYXSUDLUWAIEXKM-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
CID 106446919
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-cyclobutyloxybutanamide?
The IUPAC name of N-(3-aminophenyl)-4-cyclobutyloxybutanamide (CID 62116624) is N-(3-aminophenyl)-4-cyclobutyloxybutanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-cyclobutyloxybutanamide?
The canonical SMILES for N-(3-aminophenyl)-4-cyclobutyloxybutanamide is Nc1cccc(NC(=O)CCCOC2CCC2)c1.
What is the InChIKey of N-(3-aminophenyl)-4-cyclobutyloxybutanamide?
The InChIKey is YXSUDLUWAIEXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-11-4-1-5-12(10-11)16-14(17)8-3-9-18-13-6-2-7-13/h1,4-5,10,13H,2-3,6-9,15H2,(H,16,17).
What are the key properties of N-(3-aminophenyl)-4-cyclobutyloxybutanamide?
N-(3-aminophenyl)-4-cyclobutyloxybutanamide has a molecular weight of 248.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-cyclobutyloxybutanamide is sourced from PubChem (CID 62116624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).