N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide

C16H26N2O3 — CID 106446919

IUPACN-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
SMILESCC(C)COCCOCCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H26N2O3/c1-13(2)12-21-10-9-20-8-4-7-16(19)18-15-6-3-5-14(17)11-15/h3,5-6,11,13H,4,7-10,12,17H2,1-2H3,(H,18,19)
InChIKeyFZQRKIGACDTLDP-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.68
Rot. Bonds10

About N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide

N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide (PubChem CID 106446919) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
PubChem CID106446919
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
SMILESCC(C)COCCOCCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H26N2O3/c1-13(2)12-21-10-9-20-8-4-7-16(19)18-15-6-3-5-14(17)11-15/h3,5-6,11,13H,4,7-10,12,17H2,1-2H3,(H,18,19)
InChIKeyFZQRKIGACDTLDP-UHFFFAOYSA-N
XLogP2.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butan-2-yloxybutanamide
CID 54943755
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569671
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
3-(2-methylpropoxy)-N-(3-nitrophenyl)propanamide
CID 38966621
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
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide?
The IUPAC name of N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide (CID 106446919) is N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide is CC(C)COCCOCCCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide?
The InChIKey is FZQRKIGACDTLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(2)12-21-10-9-20-8-4-7-16(19)18-15-6-3-5-14(17)11-15/h3,5-6,11,13H,4,7-10,12,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide?
N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide has a molecular weight of 294.39 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide is sourced from PubChem (CID 106446919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).