N-(4-aminobutyl)-3-(4-aminophenyl)butanamide

C14H23N3O — CID 104502429

IUPACN-(4-aminobutyl)-3-(4-aminophenyl)butanamide
SMILESCC(CC(=O)NCCCCN)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-11(12-4-6-13(16)7-5-12)10-14(18)17-9-3-2-8-15/h4-7,11H,2-3,8-10,15-16H2,1H3,(H,17,18)
InChIKeyBMGPCDDCQFKAIH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.62
Rot. Bonds7

About N-(4-aminobutyl)-3-(4-aminophenyl)butanamide

N-(4-aminobutyl)-3-(4-aminophenyl)butanamide (PubChem CID 104502429) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(4-aminobutyl)-3-(4-aminophenyl)butanamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-3-(4-aminophenyl)butanamide
PubChem CID104502429
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(4-aminobutyl)-3-(4-aminophenyl)butanamide
SMILESCC(CC(=O)NCCCCN)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-11(12-4-6-13(16)7-5-12)10-14(18)17-9-3-2-8-15/h4-7,11H,2-3,8-10,15-16H2,1H3,(H,17,18)
InChIKeyBMGPCDDCQFKAIH-UHFFFAOYSA-N
XLogP1.62
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.62
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

3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
3-(4-aminophenyl)-N-hex-5-ynylbutanamide
CID 106213111
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406
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
4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide
CID 104502469

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-3-(4-aminophenyl)butanamide?
The IUPAC name of N-(4-aminobutyl)-3-(4-aminophenyl)butanamide (CID 104502429) is N-(4-aminobutyl)-3-(4-aminophenyl)butanamide.
What is the SMILES notation for N-(4-aminobutyl)-3-(4-aminophenyl)butanamide?
The canonical SMILES for N-(4-aminobutyl)-3-(4-aminophenyl)butanamide is CC(CC(=O)NCCCCN)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminobutyl)-3-(4-aminophenyl)butanamide?
The InChIKey is BMGPCDDCQFKAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(12-4-6-13(16)7-5-12)10-14(18)17-9-3-2-8-15/h4-7,11H,2-3,8-10,15-16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminobutyl)-3-(4-aminophenyl)butanamide?
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-3-(4-aminophenyl)butanamide is sourced from PubChem (CID 104502429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).