3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide

C15H24N2O2 — CID 107317608

IUPAC3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
SMILESCC(CC(=O)NCCCCCO)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-12(13-5-7-14(16)8-6-13)11-15(19)17-9-3-2-4-10-18/h5-8,12,18H,2-4,9-11,16H2,1H3,(H,17,19)
InChIKeyURNHJEBEMRRUKE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds8

About 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide

3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide (PubChem CID 107317608) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
PubChem CID107317608
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
SMILESCC(CC(=O)NCCCCCO)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-12(13-5-7-14(16)8-6-13)11-15(19)17-9-3-2-4-10-18/h5-8,12,18H,2-4,9-11,16H2,1H3,(H,17,19)
InChIKeyURNHJEBEMRRUKE-UHFFFAOYSA-N
XLogP2.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
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-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-aminophenyl)-N-hex-5-ynylbutanamide
CID 106213111
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide
CID 104502779
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406
3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107199352
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
CID 106186853

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide (CID 107317608) is 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide is CC(CC(=O)NCCCCCO)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide?
The InChIKey is URNHJEBEMRRUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(13-5-7-14(16)8-6-13)11-15(19)17-9-3-2-4-10-18/h5-8,12,18H,2-4,9-11,16H2,1H3,(H,17,19).
What are the key properties of 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide?
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide is sourced from PubChem (CID 107317608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).