N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide

C21H23NO4 — CID 25160986

IUPACN-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide
SMILESCOc1cc(-c2cccc(C(=O)NC3CCCCC3)c2)cc(C=O)c1O
InChIInChI=1S/C21H23NO4/c1-26-19-12-16(11-17(13-23)20(19)24)14-6-5-7-15(10-14)21(25)22-18-8-3-2-4-9-18/h5-7,10-13,18,24H,2-4,8-9H2,1H3,(H,22,25)
InChIKeyGSQHHLXIQFAXPR-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.94
Rot. Bonds5

About N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide

N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide (PubChem CID 25160986) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide
PubChem CID25160986
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide
SMILESCOc1cc(-c2cccc(C(=O)NC3CCCCC3)c2)cc(C=O)c1O
InChIInChI=1S/C21H23NO4/c1-26-19-12-16(11-17(13-23)20(19)24)14-6-5-7-15(10-14)21(25)22-18-8-3-2-4-9-18/h5-7,10-13,18,24H,2-4,8-9H2,1H3,(H,22,25)
InChIKeyGSQHHLXIQFAXPR-UHFFFAOYSA-N
XLogP3.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide;3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzoic acid
CID 74983308
methyl 3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzoate
CID 59599794
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056122
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide?
The IUPAC name of N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide (CID 25160986) is N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide.
What is the SMILES notation for N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide?
The canonical SMILES for N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide is COc1cc(-c2cccc(C(=O)NC3CCCCC3)c2)cc(C=O)c1O.
What is the InChIKey of N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide?
The InChIKey is GSQHHLXIQFAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-26-19-12-16(11-17(13-23)20(19)24)14-6-5-7-15(10-14)21(25)22-18-8-3-2-4-9-18/h5-7,10-13,18,24H,2-4,8-9H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide?
N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide has a molecular weight of 353.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide is sourced from PubChem (CID 25160986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).