2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

C19H28N2O — CID 4108125

IUPAC2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccccc2C)CC1
InChIInChI=1S/C19H28N2O/c1-5-19(3,4)15-10-12-16(13-11-15)20-21-18(22)17-9-7-6-8-14(17)2/h6-9,15H,5,10-13H2,1-4H3,(H,21,22)/b20-16-
InChIKeyZEMOEZICMLIDMT-SILNSSARSA-N
MW300.45 g/mol
LogP4.71
Rot. Bonds4

About 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (PubChem CID 4108125) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
PubChem CID4108125
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccccc2C)CC1
InChIInChI=1S/C19H28N2O/c1-5-19(3,4)15-10-12-16(13-11-15)20-21-18(22)17-9-7-6-8-14(17)2/h6-9,15H,5,10-13H2,1-4H3,(H,21,22)/b20-16-
InChIKeyZEMOEZICMLIDMT-SILNSSARSA-N
XLogP4.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.71
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-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 579792
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 4556862
methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
CID 4650730
3-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9463217
2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4165191
N-[(Z)-(2-ethylcyclopentylidene)amino]-2-methylbenzamide
CID 6079142
2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 3378905
2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
CID 3437597
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
CID 4109501
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 5109033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The IUPAC name of 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (CID 4108125) is 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The canonical SMILES for 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The InChIKey is ZEMOEZICMLIDMT-SILNSSARSA-N. The full InChI is InChI=1S/C19H28N2O/c1-5-19(3,4)15-10-12-16(13-11-15)20-21-18(22)17-9-7-6-8-14(17)2/h6-9,15H,5,10-13H2,1-4H3,(H,21,22)/b20-16-.
What are the key properties of 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide has a molecular weight of 300.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is sourced from PubChem (CID 4108125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).