3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide

C18H28N4O3 — CID 111075467

IUPAC3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide
SMILESCOc1ccc(N/C(N)=N/CCC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H28N4O3/c1-24-15-9-8-14(12-16(15)25-2)22-18(19)20-11-10-17(23)21-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,23)(H3,19,20,22)
InChIKeyNNFUTYIBNMOHNY-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.27
Rot. Bonds7

About 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide

3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide (PubChem CID 111075467) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide
PubChem CID111075467
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide
SMILESCOc1ccc(N/C(N)=N/CCC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H28N4O3/c1-24-15-9-8-14(12-16(15)25-2)22-18(19)20-11-10-17(23)21-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,23)(H3,19,20,22)
InChIKeyNNFUTYIBNMOHNY-UHFFFAOYSA-N
XLogP2.27
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.27
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 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide 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

3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylpropanamide
CID 111075449
3-[[amino-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]amino]-N-cyclohexylpropanamide
CID 111075501
N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
CID 131919860
2-(2-cycloheptyloxyethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111812561
2-(cyclooctylmethyl)-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111075392
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066104
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3-cyclopentyl-3-ethoxypropyl)-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111601037
2-[4-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
CID 111075287
2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
CID 110044765

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide (CID 111075467) is 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide is COc1ccc(N/C(N)=N/CCC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide?
The InChIKey is NNFUTYIBNMOHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-24-15-9-8-14(12-16(15)25-2)22-18(19)20-11-10-17(23)21-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,21,23)(H3,19,20,22).
What are the key properties of 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide?
3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 111075467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).