N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide

C14H20N2O2 — CID 62116315

IUPACN-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
SMILESCc1ccc(N)cc1NC(=O)CCOC1CCC1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-11(15)9-13(10)16-14(17)7-8-18-12-3-2-4-12/h5-6,9,12H,2-4,7-8,15H2,1H3,(H,16,17)
InChIKeyAVQDBBUPSMFUBR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.47
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide

N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide (PubChem CID 62116315) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
PubChem CID62116315
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
SMILESCc1ccc(N)cc1NC(=O)CCOC1CCC1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-11(15)9-13(10)16-14(17)7-8-18-12-3-2-4-12/h5-6,9,12H,2-4,7-8,15H2,1H3,(H,16,17)
InChIKeyAVQDBBUPSMFUBR-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(5-amino-2-methylphenyl)-2-(2-cyclobutylethoxy)acetamide
CID 106200107
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-yloxy)propanamide
CID 61286331
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide (CID 62116315) is N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide is Cc1ccc(N)cc1NC(=O)CCOC1CCC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide?
The InChIKey is AVQDBBUPSMFUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-11(15)9-13(10)16-14(17)7-8-18-12-3-2-4-12/h5-6,9,12H,2-4,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide?
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide has a molecular weight of 248.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide is sourced from PubChem (CID 62116315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).