N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide

C14H22N2O2 — CID 28995330

IUPACN-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCC(C)(C)OCCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-9-5-8-13(17)16-12-7-4-6-11(15)10-12/h4,6-7,10H,5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyHIMXTPROROHJSF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.80
Rot. Bonds5

About N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide

N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 28995330) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID28995330
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCC(C)(C)OCCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-9-5-8-13(17)16-12-7-4-6-11(15)10-12/h4,6-7,10H,5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyHIMXTPROROHJSF-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.80
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-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
CID 106446919
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995316
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79385176
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
methyl 4-(3-aminoanilino)-2,2-dimethyl-4-oxobutanoate
CID 13456459
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide (CID 28995330) is N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide is CC(C)(C)OCCCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is HIMXTPROROHJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-9-5-8-13(17)16-12-7-4-6-11(15)10-12/h4,6-7,10H,5,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 28995330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).