4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide

C15H22N4O3 — CID 119119363

IUPAC4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide
SMILESCOc1ccc(N/C(N)=N/CC2(C(N)=O)CCOCC2)cc1
InChIInChI=1S/C15H22N4O3/c1-21-12-4-2-11(3-5-12)19-14(17)18-10-15(13(16)20)6-8-22-9-7-15/h2-5H,6-10H2,1H3,(H2,16,20)(H3,17,18,19)
InChIKeyKDGIBLFJJGZHCT-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.70
Rot. Bonds5

About 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide

4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide (PubChem CID 119119363) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide
PubChem CID119119363
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide
SMILESCOc1ccc(N/C(N)=N/CC2(C(N)=O)CCOCC2)cc1
InChIInChI=1S/C15H22N4O3/c1-21-12-4-2-11(3-5-12)19-14(17)18-10-15(13(16)20)6-8-22-9-7-15/h2-5H,6-10H2,1H3,(H2,16,20)(H3,17,18,19)
InChIKeyKDGIBLFJJGZHCT-UHFFFAOYSA-N
XLogP0.70
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide 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-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812062
2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111081304
2-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111805275
2-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111080792
4-(4-methoxyanilino)oxane-4-carboxamide
CID 54889147
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 110033256
2-[(4-methyloxan-4-yl)methyl]-1-phenylguanidine
CID 113252878
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[(4-phenyloxan-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111068034
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 111818134

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide (CID 119119363) is 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide is COc1ccc(N/C(N)=N/CC2(C(N)=O)CCOCC2)cc1.
What is the InChIKey of 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide?
The InChIKey is KDGIBLFJJGZHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-21-12-4-2-11(3-5-12)19-14(17)18-10-15(13(16)20)6-8-22-9-7-15/h2-5H,6-10H2,1H3,(H2,16,20)(H3,17,18,19).
What are the key properties of 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide?
4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 119119363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).