N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide

C14H20N5O+ — CID 18424719

IUPACN-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide
SMILESC[n+]1ccn(CC(=O)NCCNc2ccccc2N)c1
InChIInChI=1S/C14H19N5O/c1-18-8-9-19(11-18)10-14(20)17-7-6-16-13-5-3-2-4-12(13)15/h2-5,8-9,11,16H,6-7,10,15H2,1H3/p+1
InChIKeyUVYXPHJVZYYZKF-UHFFFAOYSA-O
MW274.35 g/mol
LogP0.12
Rot. Bonds6

About N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide

N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide (PubChem CID 18424719) has the molecular formula C14H20N5O+ and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide
PubChem CID18424719
Molecular FormulaC14H20N5O+
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC NameN-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide
SMILESC[n+]1ccn(CC(=O)NCCNc2ccccc2N)c1
InChIInChI=1S/C14H19N5O/c1-18-8-9-19(11-18)10-14(20)17-7-6-16-13-5-3-2-4-12(13)15/h2-5,8-9,11,16H,6-7,10,15H2,1H3/p+1
InChIKeyUVYXPHJVZYYZKF-UHFFFAOYSA-O
XLogP0.12
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)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

N-[2-hydroxy-3-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]phenyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide dichloride
CID 18552056
ethyl 2-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]benzoate
CID 3477064
2-[3-[3-(2-aminoanilino)propyl]imidazol-3-ium-1-yl]ethanol
CID 87787836
4-amino-3-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]ethylamino]phenol
CID 89451678
1-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,2,4-triamine
CID 90022369
2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
2-(3-methylimidazol-3-ium-1-yl)ethyl 3-amino-4-(3-methylbutylamino)benzoate
CID 139254848
N-(3,4-dichlorophenyl)-2-(3-methylimidazol-3-ium-1-yl)acetamide chloride
CID 44722018
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
N-[2-[1-hydroxy-2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide chloride
CID 88710663
1-(2-aminoanilino)butan-2-one
CID 58535074
benzyl 3-(2-aminoanilino)propanoate
CID 134162303

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide?
The IUPAC name of N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide (CID 18424719) is N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide?
The canonical SMILES for N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide is C[n+]1ccn(CC(=O)NCCNc2ccccc2N)c1.
What is the InChIKey of N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide?
The InChIKey is UVYXPHJVZYYZKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N5O/c1-18-8-9-19(11-18)10-14(20)17-7-6-16-13-5-3-2-4-12(13)15/h2-5,8-9,11,16H,6-7,10,15H2,1H3/p+1.
What are the key properties of N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide?
N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide has a molecular weight of 274.35 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoanilino)ethyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide is sourced from PubChem (CID 18424719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).