N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide

C16H22BrN3O — CID 126381594

IUPACN-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide
SMILESCc1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1Br
InChIInChI=1S/C16H22BrN3O/c1-12-7-8-13(9-15(12)17)10-19-20-16(21)11-18-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11H2,1H3,(H,20,21)/b19-10-
InChIKeyDZCUKVUBYAKLEH-GRSHGNNSSA-N
MW352.28 g/mol
LogP3.13
Rot. Bonds5

About N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide

N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide (PubChem CID 126381594) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide
PubChem CID126381594
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide
SMILESCc1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1Br
InChIInChI=1S/C16H22BrN3O/c1-12-7-8-13(9-15(12)17)10-19-20-16(21)11-18-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11H2,1H3,(H,20,21)/b19-10-
InChIKeyDZCUKVUBYAKLEH-GRSHGNNSSA-N
XLogP3.13
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)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-[(Z)-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(cyclohexylamino)acetamide
CID 126384417
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 41092525
2-(cyclohexylamino)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137094323
ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126381979
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(cyclohexylamino)acetamide
CID 126385174
2-(cyclohexylamino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 126386756
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(cyclohexylamino)acetamide
CID 126380848
N'-[(E)-(3-bromophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211606
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
2-(cyclohexylamino)-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126385571

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide?
The IUPAC name of N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide (CID 126381594) is N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide is Cc1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1Br.
What is the InChIKey of N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide?
The InChIKey is DZCUKVUBYAKLEH-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-12-7-8-13(9-15(12)17)10-19-20-16(21)11-18-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11H2,1H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide?
N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide has a molecular weight of 352.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide is sourced from PubChem (CID 126381594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).