2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide

C16H22N2O — CID 7858354

IUPAC2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
SMILESCc1ccc(C(=O)N/N=C2/CCC[C@@H](C)C2)c(C)c1
InChIInChI=1S/C16H22N2O/c1-11-5-4-6-14(10-11)17-18-16(19)15-8-7-12(2)9-13(15)3/h7-9,11H,4-6,10H2,1-3H3,(H,18,19)/b17-14-/t11-/m1/s1
InChIKeyWTPFBQYYNDEFAC-YOEHMKRZSA-N
MW258.37 g/mol
LogP3.60
Rot. Bonds2

About 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide

2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide (PubChem CID 7858354) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
PubChem CID7858354
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
SMILESCc1ccc(C(=O)N/N=C2/CCC[C@@H](C)C2)c(C)c1
InChIInChI=1S/C16H22N2O/c1-11-5-4-6-14(10-11)17-18-16(19)15-8-7-12(2)9-13(15)3/h7-9,11H,4-6,10H2,1-3H3,(H,18,19)/b17-14-/t11-/m1/s1
InChIKeyWTPFBQYYNDEFAC-YOEHMKRZSA-N
XLogP3.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.60
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-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4165191
2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27459585
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4626462
5-chloro-2-methoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 6533231
5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 27485279
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-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 910317
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide
CID 17384885

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide (CID 7858354) is 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide is Cc1ccc(C(=O)N/N=C2/CCC[C@@H](C)C2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide?
The InChIKey is WTPFBQYYNDEFAC-YOEHMKRZSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-4-6-14(10-11)17-18-16(19)15-8-7-12(2)9-13(15)3/h7-9,11H,4-6,10H2,1-3H3,(H,18,19)/b17-14-/t11-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide?
2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide has a molecular weight of 258.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 7858354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).