N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide

C15H25N3OS — CID 115985414

IUPACN-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
SMILESCSCC(C)N(C)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H25N3OS/c1-12(11-20-3)18(2)10-4-5-15(19)17-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeySUBOYSXIWXYPHG-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.67
Rot. Bonds8

About N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide

N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide (PubChem CID 115985414) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
PubChem CID115985414
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
SMILESCSCC(C)N(C)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H25N3OS/c1-12(11-20-3)18(2)10-4-5-15(19)17-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeySUBOYSXIWXYPHG-UHFFFAOYSA-N
XLogP2.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773
4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
CID 103101347
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
N-(4-aminophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61444637

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide?
The IUPAC name of N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide (CID 115985414) is N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide is CSCC(C)N(C)CCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide?
The InChIKey is SUBOYSXIWXYPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-12(11-20-3)18(2)10-4-5-15(19)17-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide?
N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide has a molecular weight of 295.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide is sourced from PubChem (CID 115985414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).