N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide

C28H35NO8 — CID 54004891

IUPACN-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide
SMILESCCCOc1c(CC#CN(O)C(C)=O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC
InChIInChI=1S/C28H35NO8/c1-7-13-36-27-19(9-8-12-29(31)18(2)30)14-20(15-24(27)32-3)22-10-11-23(37-22)21-16-25(33-4)28(35-6)26(17-21)34-5/h14-17,22-23,31H,7,9-11,13H2,1-6H3
InChIKeyKODYTGWJIKJIFD-UHFFFAOYSA-N
MW513.59 g/mol
LogP4.84
Rot. Bonds10

About N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide

N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide (PubChem CID 54004891) has the molecular formula C28H35NO8 and a molecular weight of 513.59 g/mol. Its IUPAC name is N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide
PubChem CID54004891
Molecular FormulaC28H35NO8
Molecular Weight513.59 g/mol
Exact Mass513.24
IUPAC NameN-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide
SMILESCCCOc1c(CC#CN(O)C(C)=O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC
InChIInChI=1S/C28H35NO8/c1-7-13-36-27-19(9-8-12-29(31)18(2)30)14-20(15-24(27)32-3)22-10-11-23(37-22)21-16-25(33-4)28(35-6)26(17-21)34-5/h14-17,22-23,31H,7,9-11,13H2,1-6H3
InChIKeyKODYTGWJIKJIFD-UHFFFAOYSA-N
XLogP4.84
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide?
The IUPAC name of N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide (CID 54004891) is N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide?
The canonical SMILES for N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide is CCCOc1c(CC#CN(O)C(C)=O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC.
What is the InChIKey of N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide?
The InChIKey is KODYTGWJIKJIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO8/c1-7-13-36-27-19(9-8-12-29(31)18(2)30)14-20(15-24(27)32-3)22-10-11-23(37-22)21-16-25(33-4)28(35-6)26(17-21)34-5/h14-17,22-23,31H,7,9-11,13H2,1-6H3.
What are the key properties of N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide?
N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide has a molecular weight of 513.59 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide is sourced from PubChem (CID 54004891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).