4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide

C22H24N2O5 — CID 87108521

IUPAC4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(OCCNC(=O)c2ccc(OC3C=CCCC3)cc2)cc1
InChIInChI=1S/C22H24N2O5/c25-21(16-8-12-20(13-9-16)29-19-4-2-1-3-5-19)23-14-15-28-18-10-6-17(7-11-18)22(26)24-27/h2,4,6-13,19,27H,1,3,5,14-15H2,(H,23,25)(H,24,26)
InChIKeyXJFDTZOBHUGCRD-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.10
Rot. Bonds8

About 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide

4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide (PubChem CID 87108521) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide
PubChem CID87108521
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(OCCNC(=O)c2ccc(OC3C=CCCC3)cc2)cc1
InChIInChI=1S/C22H24N2O5/c25-21(16-8-12-20(13-9-16)29-19-4-2-1-3-5-19)23-14-15-28-18-10-6-17(7-11-18)22(26)24-27/h2,4,6-13,19,27H,1,3,5,14-15H2,(H,23,25)(H,24,26)
InChIKeyXJFDTZOBHUGCRD-UHFFFAOYSA-N
XLogP3.10
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
CID 67807487
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170550
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
CID 119620313
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407
4-[2-[[(E)-3-(1-benzofuran-2-yl)-4-cyclobutylbut-2-enoyl]amino]ethoxy]-N-hydroxybenzamide
CID 11464678

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide?
The IUPAC name of 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide (CID 87108521) is 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide is O=C(NO)c1ccc(OCCNC(=O)c2ccc(OC3C=CCCC3)cc2)cc1.
What is the InChIKey of 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide?
The InChIKey is XJFDTZOBHUGCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-21(16-8-12-20(13-9-16)29-19-4-2-1-3-5-19)23-14-15-28-18-10-6-17(7-11-18)22(26)24-27/h2,4,6-13,19,27H,1,3,5,14-15H2,(H,23,25)(H,24,26).
What are the key properties of 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide?
4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide has a molecular weight of 396.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide is sourced from PubChem (CID 87108521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).