N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide

C15H24N2O3 — CID 102980701

IUPACN-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide
SMILESCCCC(C)OC(C)C(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-5-6-10(2)20-11(3)15(18)17-13-9-12(16)7-8-14(13)19-4/h7-11H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyFCKAREXDLMGZAR-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.81
Rot. Bonds7

About N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide

N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide (PubChem CID 102980701) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide
PubChem CID102980701
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide
SMILESCCCC(C)OC(C)C(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-5-6-10(2)20-11(3)15(18)17-13-9-12(16)7-8-14(13)19-4/h7-11H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyFCKAREXDLMGZAR-UHFFFAOYSA-N
XLogP2.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
CID 16783991
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
N-(5-amino-2-methoxyphenyl)-2-[ethyl(propyl)amino]propanamide
CID 43268403
N-(5-amino-2-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61449940
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
CID 54943567
N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide
CID 102980709
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107753666
N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103486661
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237
N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275206

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide (CID 102980701) is N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide is CCCC(C)OC(C)C(=O)Nc1cc(N)ccc1OC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide?
The InChIKey is FCKAREXDLMGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-6-10(2)20-11(3)15(18)17-13-9-12(16)7-8-14(13)19-4/h7-11H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide?
N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide has a molecular weight of 280.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide is sourced from PubChem (CID 102980701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).