N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide

C16H26N2O2 — CID 28995516

IUPACN-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
SMILESCCC(C)(C)OCCCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C16H26N2O2/c1-5-16(3,4)20-11-7-10-15(19)18-14-9-6-8-13(17)12(14)2/h6,8-9H,5,7,10-11,17H2,1-4H3,(H,18,19)
InChIKeyUNKQNVWJYLXNKG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.50
Rot. Bonds7

About N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide

N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide (PubChem CID 28995516) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
PubChem CID28995516
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
SMILESCCC(C)(C)OCCCC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C16H26N2O2/c1-5-16(3,4)20-11-7-10-15(19)18-14-9-6-8-13(17)12(14)2/h6,8-9H,5,7,10-11,17H2,1-4H3,(H,18,19)
InChIKeyUNKQNVWJYLXNKG-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.50
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-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274
N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995566
N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
CID 16784272
N-(3-amino-2-methylphenyl)-4-tert-butylsulfinylbutanamide
CID 61304602
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456
N-(3-amino-2-methylphenyl)-3-tert-butylsulfinylpropanamide
CID 61304225
methyl 2-[3-(3-amino-2-methylanilino)-3-oxopropyl]sulfonylacetate
CID 43618125
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide (CID 28995516) is N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide is CCC(C)(C)OCCCC(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide?
The InChIKey is UNKQNVWJYLXNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-16(3,4)20-11-7-10-15(19)18-14-9-6-8-13(17)12(14)2/h6,8-9H,5,7,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide?
N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide has a molecular weight of 278.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide is sourced from PubChem (CID 28995516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).