N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide

C21H24N2O2 — CID 8518251

IUPACN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
SMILESC[C@@H]1CCCC/C1=N/NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2/c1-16-7-5-6-10-20(16)22-23-21(24)18-13-11-17(12-14-18)15-25-19-8-3-2-4-9-19/h2-4,8-9,11-14,16H,5-7,10,15H2,1H3,(H,23,24)/b22-20-/t16-/m1/s1
InChIKeyLYIIHECZVCYPNA-BLRPHQBRSA-N
MW336.44 g/mol
LogP4.56
Rot. Bonds5

About N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide

N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide (PubChem CID 8518251) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
PubChem CID8518251
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
SMILESC[C@@H]1CCCC/C1=N/NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2/c1-16-7-5-6-10-20(16)22-23-21(24)18-13-11-17(12-14-18)15-25-19-8-3-2-4-9-19/h2-4,8-9,11-14,16H,5-7,10,15H2,1H3,(H,23,24)/b22-20-/t16-/m1/s1
InChIKeyLYIIHECZVCYPNA-BLRPHQBRSA-N
XLogP4.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-(6-bicyclo[3.2.0]hept-3-enylideneamino)-4-(phenoxymethyl)benzamide
CID 3321972
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-4-(phenoxymethyl)benzamide
CID 7435049
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518183
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
CID 9350231

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide (CID 8518251) is N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide is C[C@@H]1CCCC/C1=N/NC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide?
The InChIKey is LYIIHECZVCYPNA-BLRPHQBRSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-7-5-6-10-20(16)22-23-21(24)18-13-11-17(12-14-18)15-25-19-8-3-2-4-9-19/h2-4,8-9,11-14,16H,5-7,10,15H2,1H3,(H,23,24)/b22-20-/t16-/m1/s1.
What are the key properties of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide?
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 8518251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).