N-(3-aminophenyl)-4-butan-2-yloxybutanamide

C14H22N2O2 — CID 54943755

IUPACN-(3-aminophenyl)-4-butan-2-yloxybutanamide
SMILESCCC(C)OCCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-11(2)18-9-5-8-14(17)16-13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17)
InChIKeyIIYQVAJPDKJWBA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.80
Rot. Bonds7

About N-(3-aminophenyl)-4-butan-2-yloxybutanamide

N-(3-aminophenyl)-4-butan-2-yloxybutanamide (PubChem CID 54943755) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-butan-2-yloxybutanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-butan-2-yloxybutanamide
PubChem CID54943755
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminophenyl)-4-butan-2-yloxybutanamide
SMILESCCC(C)OCCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-11(2)18-9-5-8-14(17)16-13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17)
InChIKeyIIYQVAJPDKJWBA-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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)-4-[2-(2-methylpropoxy)ethoxy]butanamide
CID 106446919
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
CID 54943854
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
butan-2-yl N-(3-aminophenyl)carbamate
CID 60904542
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
CID 54943716
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569671
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-butan-2-yloxybutanamide?
The IUPAC name of N-(3-aminophenyl)-4-butan-2-yloxybutanamide (CID 54943755) is N-(3-aminophenyl)-4-butan-2-yloxybutanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-butan-2-yloxybutanamide?
The canonical SMILES for N-(3-aminophenyl)-4-butan-2-yloxybutanamide is CCC(C)OCCCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-butan-2-yloxybutanamide?
The InChIKey is IIYQVAJPDKJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11(2)18-9-5-8-14(17)16-13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-aminophenyl)-4-butan-2-yloxybutanamide?
N-(3-aminophenyl)-4-butan-2-yloxybutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-butan-2-yloxybutanamide is sourced from PubChem (CID 54943755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).