4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide

C20H25IN4O2 — CID 111599045

IUPAC4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
SMILESI.N/C(=N\CCCC(=O)NC1CC1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N4O2.HI/c21-20(22-13-5-10-19(25)23-15-11-12-15)24-16-6-4-9-18(14-16)26-17-7-2-1-3-8-17;/h1-4,6-9,14-15H,5,10-13H2,(H,23,25)(H3,21,22,24);1H
InChIKeyBBZJSDQIEYINGV-UHFFFAOYSA-N
MW480.35 g/mol
LogP3.88
Rot. Bonds8

About 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide

4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide (PubChem CID 111599045) has the molecular formula C20H25IN4O2 and a molecular weight of 480.35 g/mol. Its IUPAC name is 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide.

Molecular Properties

Compound Name4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
PubChem CID111599045
Molecular FormulaC20H25IN4O2
Molecular Weight480.35 g/mol
Exact Mass480.10
IUPAC Name4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
SMILESI.N/C(=N\CCCC(=O)NC1CC1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24N4O2.HI/c21-20(22-13-5-10-19(25)23-15-11-12-15)24-16-6-4-9-18(14-16)26-17-7-2-1-3-8-17;/h1-4,6-9,14-15H,5,10-13H2,(H,23,25)(H3,21,22,24);1H
InChIKeyBBZJSDQIEYINGV-UHFFFAOYSA-N
XLogP3.88
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide 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

4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066104
4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066097
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
4-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066143
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597433
2-[3-(oxolan-3-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine
CID 111818596
2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine
CID 111599634
tert-butyl N-[3-[[amino-(3-phenoxyanilino)methylidene]amino]propyl]carbamate
CID 111598244
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
N-[2-[[amino-(3-phenoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111599949

Frequently Asked Questions

What is the IUPAC name of 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The IUPAC name of 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide (CID 111599045) is 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide.
What is the SMILES notation for 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The canonical SMILES for 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide is I.N/C(=N\CCCC(=O)NC1CC1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The InChIKey is BBZJSDQIEYINGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.HI/c21-20(22-13-5-10-19(25)23-15-11-12-15)24-16-6-4-9-18(14-16)26-17-7-2-1-3-8-17;/h1-4,6-9,14-15H,5,10-13H2,(H,23,25)(H3,21,22,24);1H.
What are the key properties of 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide has a molecular weight of 480.35 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide is sourced from PubChem (CID 111599045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).