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

C14H23N3O — CID 57129481

IUPACN-(4-aminophenyl)-3-(diethylamino)butanamide
SMILESCCN(CC)C(C)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-17(5-2)11(3)10-14(18)16-13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyIVNWGFINEMNOCL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.33
Rot. Bonds6

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

N-(4-aminophenyl)-3-(diethylamino)butanamide (PubChem CID 57129481) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(diethylamino)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(diethylamino)butanamide
PubChem CID57129481
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(4-aminophenyl)-3-(diethylamino)butanamide
SMILESCCN(CC)C(C)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-17(5-2)11(3)10-14(18)16-13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyIVNWGFINEMNOCL-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
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

N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
3-(4-aminophenyl)-1-butan-2-yl-1-ethylurea
CID 43469114
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696461
N-(4-chlorophenyl)-3-(dimethylamino)butanamide
CID 123590846
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 63222153
N-(4-aminophenyl)-2-(3-methylbutan-2-ylsulfinyl)acetamide
CID 107753657
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
CID 8779615
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
CID 82224572
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(diethylamino)butanamide?
The IUPAC name of N-(4-aminophenyl)-3-(diethylamino)butanamide (CID 57129481) is N-(4-aminophenyl)-3-(diethylamino)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(diethylamino)butanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(diethylamino)butanamide is CCN(CC)C(C)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(diethylamino)butanamide?
The InChIKey is IVNWGFINEMNOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17(5-2)11(3)10-14(18)16-13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18).
What are the key properties of N-(4-aminophenyl)-3-(diethylamino)butanamide?
N-(4-aminophenyl)-3-(diethylamino)butanamide has a molecular weight of 249.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(diethylamino)butanamide is sourced from PubChem (CID 57129481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).