N-[4-(2,4-diaminoanilino)phenyl]butanamide

C16H20N4O — CID 54795017

IUPACN-[4-(2,4-diaminoanilino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(N)cc2N)cc1
InChIInChI=1S/C16H20N4O/c1-2-3-16(21)20-13-7-5-12(6-8-13)19-15-9-4-11(17)10-14(15)18/h4-10,19H,2-3,17-18H2,1H3,(H,20,21)
InChIKeyKIZRVGIYPMPYFC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.33
Rot. Bonds5

About N-[4-(2,4-diaminoanilino)phenyl]butanamide

N-[4-(2,4-diaminoanilino)phenyl]butanamide (PubChem CID 54795017) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-(2,4-diaminoanilino)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2,4-diaminoanilino)phenyl]butanamide
PubChem CID54795017
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[4-(2,4-diaminoanilino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(N)cc2N)cc1
InChIInChI=1S/C16H20N4O/c1-2-3-16(21)20-13-7-5-12(6-8-13)19-15-9-4-11(17)10-14(15)18/h4-10,19H,2-3,17-18H2,1H3,(H,20,21)
InChIKeyKIZRVGIYPMPYFC-UHFFFAOYSA-N
XLogP3.33
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
N-[4-(3,4-dichloroanilino)phenyl]butanamide
CID 112989592
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
methyl 2-[4-(butanoylamino)anilino]benzoate
CID 112988411
2-ethylaniline;N-phenylbutanamide
CID 68720946
N-[3-methyl-4-(methylamino)phenyl]butanamide
CID 175204219
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-[4-(2-aminoacetyl)phenyl]butanamide
CID 170860322
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diaminoanilino)phenyl]butanamide?
The IUPAC name of N-[4-(2,4-diaminoanilino)phenyl]butanamide (CID 54795017) is N-[4-(2,4-diaminoanilino)phenyl]butanamide.
What is the SMILES notation for N-[4-(2,4-diaminoanilino)phenyl]butanamide?
The canonical SMILES for N-[4-(2,4-diaminoanilino)phenyl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(N)cc2N)cc1.
What is the InChIKey of N-[4-(2,4-diaminoanilino)phenyl]butanamide?
The InChIKey is KIZRVGIYPMPYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-3-16(21)20-13-7-5-12(6-8-13)19-15-9-4-11(17)10-14(15)18/h4-10,19H,2-3,17-18H2,1H3,(H,20,21).
What are the key properties of N-[4-(2,4-diaminoanilino)phenyl]butanamide?
N-[4-(2,4-diaminoanilino)phenyl]butanamide has a molecular weight of 284.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-diaminoanilino)phenyl]butanamide is sourced from PubChem (CID 54795017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).