N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide

C21H28N4O — CID 111086193

IUPACN-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide
SMILESCCC(C)c1ccc(N/C(N)=N/CCc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H28N4O/c1-4-15(2)18-7-11-20(12-8-18)25-21(22)23-14-13-17-5-9-19(10-6-17)24-16(3)26/h5-12,15H,4,13-14H2,1-3H3,(H,24,26)(H3,22,23,25)
InChIKeyHHRSKEFRNVDHCG-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.13
Rot. Bonds7

About N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide

N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide (PubChem CID 111086193) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide
PubChem CID111086193
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide
SMILESCCC(C)c1ccc(N/C(N)=N/CCc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H28N4O/c1-4-15(2)18-7-11-20(12-8-18)25-21(22)23-14-13-17-5-9-19(10-6-17)24-16(3)26/h5-12,15H,4,13-14H2,1-3H3,(H,24,26)(H3,22,23,25)
InChIKeyHHRSKEFRNVDHCG-UHFFFAOYSA-N
XLogP4.13
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butan-2-ylphenyl)-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023000
1-(4-butan-2-ylphenyl)-2-ethylguanidine
CID 111023947
N-[4-[2-[[amino-(2,6-diethylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086226
N-[4-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086256
N-[4-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086215
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094948
N-[4-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086241
N-[5-[[[amino-(4-butan-2-ylanilino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111094511
1-(4-butan-2-ylphenyl)-2-(2-tert-butylsulfinylethyl)guanidine;hydroiodide
CID 111811503
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042765
1-(4-butan-2-ylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111091178
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide (CID 111086193) is N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide is CCC(C)c1ccc(N/C(N)=N/CCc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide?
The InChIKey is HHRSKEFRNVDHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-15(2)18-7-11-20(12-8-18)25-21(22)23-14-13-17-5-9-19(10-6-17)24-16(3)26/h5-12,15H,4,13-14H2,1-3H3,(H,24,26)(H3,22,23,25).
What are the key properties of N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide?
N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 111086193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).