N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide

C24H24N2O5 — CID 45485345

IUPACN-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-30-22-15-17(7-13-21(22)31-16-18-5-3-2-4-6-18)8-14-23(27)25-20-11-9-19(10-12-20)24(28)26-29/h2-7,9-13,15,29H,8,14,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyGRVHNZVEVOBCFB-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.96
Rot. Bonds9

About N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide

N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide (PubChem CID 45485345) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide
PubChem CID45485345
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-30-22-15-17(7-13-21(22)31-16-18-5-3-2-4-6-18)8-14-23(27)25-20-11-9-19(10-12-20)24(28)26-29/h2-7,9-13,15,29H,8,14,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyGRVHNZVEVOBCFB-UHFFFAOYSA-N
XLogP3.96
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide?
The IUPAC name of N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide (CID 45485345) is N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide is COc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide?
The InChIKey is GRVHNZVEVOBCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-30-22-15-17(7-13-21(22)31-16-18-5-3-2-4-6-18)8-14-23(27)25-20-11-9-19(10-12-20)24(28)26-29/h2-7,9-13,15,29H,8,14,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide?
N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide has a molecular weight of 420.47 g/mol, XLogP of 3.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 45485345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).