4-amino-N-(4-aminophenyl)butanamide

C10H15N3O — CID 90105668

IUPAC4-amino-N-(4-aminophenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C10H15N3O/c11-7-1-2-10(14)13-9-5-3-8(12)4-6-9/h3-6H,1-2,7,11-12H2,(H,13,14)
InChIKeyOKNYOPWUOINXRW-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.95
Rot. Bonds4

About 4-amino-N-(4-aminophenyl)butanamide

4-amino-N-(4-aminophenyl)butanamide (PubChem CID 90105668) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-N-(4-aminophenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-aminophenyl)butanamide
PubChem CID90105668
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-N-(4-aminophenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C10H15N3O/c11-7-1-2-10(14)13-9-5-3-8(12)4-6-9/h3-6H,1-2,7,11-12H2,(H,13,14)
InChIKeyOKNYOPWUOINXRW-UHFFFAOYSA-N
XLogP0.95
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-(4-aminophenyl)-4-methylsulfinylbutanamide
CID 61288283
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
4-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 43711207
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
CID 70069905
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-aminophenyl)butanamide?
The IUPAC name of 4-amino-N-(4-aminophenyl)butanamide (CID 90105668) is 4-amino-N-(4-aminophenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-aminophenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-aminophenyl)butanamide is NCCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(4-aminophenyl)butanamide?
The InChIKey is OKNYOPWUOINXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-7-1-2-10(14)13-9-5-3-8(12)4-6-9/h3-6H,1-2,7,11-12H2,(H,13,14).
What are the key properties of 4-amino-N-(4-aminophenyl)butanamide?
4-amino-N-(4-aminophenyl)butanamide has a molecular weight of 193.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-aminophenyl)butanamide is sourced from PubChem (CID 90105668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).