3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide

C21H24N2O3 — CID 9461102

IUPAC3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide
SMILESCOc1cc(OC)cc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O3/c1-25-19-12-17(13-20(14-19)26-2)21(24)23-22-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,23,24)/b22-18-
InChIKeyBGPKCEHACNSUHI-PYCFMQQDSA-N
MW352.43 g/mol
LogP4.15
Rot. Bonds5

About 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide

3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide (PubChem CID 9461102) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide
PubChem CID9461102
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide
SMILESCOc1cc(OC)cc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O3/c1-25-19-12-17(13-20(14-19)26-2)21(24)23-22-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,23,24)/b22-18-
InChIKeyBGPKCEHACNSUHI-PYCFMQQDSA-N
XLogP4.15
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide
CID 4075219
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9070972
N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
CID 556058
5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide
CID 4594839
N-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
2-methyl-N-[(4-phenylcyclohexylidene)amino]pyrazole-3-carboxamide
CID 674622
1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide
CID 17337814
1-(3,4-dimethoxyphenyl)-3-[(4-phenylcyclohexylidene)amino]thiourea
CID 9216435
1-methyl-4-nitro-N-[(4-phenylcyclohexylidene)amino]pyrazole-5-carboxamide
CID 19576480
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
4-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 5109539

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide (CID 9461102) is 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide is COc1cc(OC)cc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide?
The InChIKey is BGPKCEHACNSUHI-PYCFMQQDSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-19-12-17(13-20(14-19)26-2)21(24)23-22-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,23,24)/b22-18-.
What are the key properties of 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide?
3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide has a molecular weight of 352.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 9461102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).