2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide

C15H20N2O — CID 4165191

IUPAC2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
SMILESCc1ccccc1C(=O)NN=C1CCCC(C)C1
InChIInChI=1S/C15H20N2O/c1-11-6-5-8-13(10-11)16-17-15(18)14-9-4-3-7-12(14)2/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,17,18)
InChIKeyXPAGQFCSRBOUCK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.29
Rot. Bonds2

About 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide

2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide (PubChem CID 4165191) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
PubChem CID4165191
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
SMILESCc1ccccc1C(=O)NN=C1CCCC(C)C1
InChIInChI=1S/C15H20N2O/c1-11-6-5-8-13(10-11)16-17-15(18)14-9-4-3-7-12(14)2/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,17,18)
InChIKeyXPAGQFCSRBOUCK-UHFFFAOYSA-N
XLogP3.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 7858354
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
2-N,5-N-bis[(E)-(3-methylcyclohexylidene)amino]furan-2,5-dicarboxamide
CID 19579653
2-N,5-N-bis[(Z)-[(3S)-3-methylcyclohexylidene]amino]furan-2,5-dicarboxamide
CID 51900558
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide
CID 7967526
5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4626462
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide
CID 6338711
N-[(Z)-(2-ethylcyclopentylidene)amino]-2-methylbenzamide
CID 6079142
4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 910317
N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 534328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide?
The IUPAC name of 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide (CID 4165191) is 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide?
The canonical SMILES for 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide is Cc1ccccc1C(=O)NN=C1CCCC(C)C1.
What is the InChIKey of 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide?
The InChIKey is XPAGQFCSRBOUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-5-8-13(10-11)16-17-15(18)14-9-4-3-7-12(14)2/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide?
2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide has a molecular weight of 244.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 4165191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).