4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

C22H25N3O4 — CID 1013453

IUPAC4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ccc1O
InChIInChI=1S/C22H25N3O4/c1-29-20-13-15(7-12-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h7-14,16,26H,2-6H2,1H3,(H,24,27)(H,25,28)
InChIKeyRMGQDGGUQGPWNN-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.68
Rot. Bonds6

About 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 1013453) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID1013453
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ccc1O
InChIInChI=1S/C22H25N3O4/c1-29-20-13-15(7-12-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h7-14,16,26H,2-6H2,1H3,(H,24,27)(H,25,28)
InChIKeyRMGQDGGUQGPWNN-UHFFFAOYSA-N
XLogP3.68
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4506667
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide
CID 135685561
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[4-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135560246
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
4-(aminomethyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135899399
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 1013453) is 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ccc1O.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is RMGQDGGUQGPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-20-13-15(7-12-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h7-14,16,26H,2-6H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1013453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).