4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide

C17H25N3O — CID 9070857

IUPAC4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide
SMILESCC(C)=CCC[C@H](C)C/C=N\NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)5-4-6-14(3)11-12-19-20-17(21)15-7-9-16(18)10-8-15/h5,7-10,12,14H,4,6,11,18H2,1-3H3,(H,20,21)/b19-12-/t14-/m0/s1
InChIKeyHWIGNAUPKPJFMC-YQNUULROSA-N
MW287.41 g/mol
LogP3.76
Rot. Bonds7

About 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide

4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide (PubChem CID 9070857) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide
PubChem CID9070857
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide
SMILESCC(C)=CCC[C@H](C)C/C=N\NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)5-4-6-14(3)11-12-19-20-17(21)15-7-9-16(18)10-8-15/h5,7-10,12,14H,4,6,11,18H2,1-3H3,(H,20,21)/b19-12-/t14-/m0/s1
InChIKeyHWIGNAUPKPJFMC-YQNUULROSA-N
XLogP3.76
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide (CID 9070857) is 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide is CC(C)=CCC[C@H](C)C/C=N\NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide?
The InChIKey is HWIGNAUPKPJFMC-YQNUULROSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)5-4-6-14(3)11-12-19-20-17(21)15-7-9-16(18)10-8-15/h5,7-10,12,14H,4,6,11,18H2,1-3H3,(H,20,21)/b19-12-/t14-/m0/s1.
What are the key properties of 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide?
4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide has a molecular weight of 287.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide is sourced from PubChem (CID 9070857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).