N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide

C21H23NO5 — CID 19769882

IUPACN-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide
SMILESCOc1cc(C#Cc2cccc(C(C)N(O)C(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C21H23NO5/c1-14(22(24)15(2)23)18-8-6-7-16(11-18)9-10-17-12-19(25-3)21(27-5)20(13-17)26-4/h6-8,11-14,24H,1-5H3
InChIKeyKPFJODZKZYEDOX-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.41
Rot. Bonds5

About N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide

N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide (PubChem CID 19769882) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide
PubChem CID19769882
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide
SMILESCOc1cc(C#Cc2cccc(C(C)N(O)C(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C21H23NO5/c1-14(22(24)15(2)23)18-8-6-7-16(11-18)9-10-17-12-19(25-3)21(27-5)20(13-17)26-4/h6-8,11-14,24H,1-5H3
InChIKeyKPFJODZKZYEDOX-UHFFFAOYSA-N
XLogP3.41
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trimethoxy-5-[2-(4-propan-2-ylphenyl)ethynyl]benzene
CID 10495165
5-[2-[3-(4-bromobut-1-ynyl)phenyl]ethynyl]-1,2,3-trimethoxybenzene
CID 170457244
[3-phenyl-1-(3,4,5-trimethoxyphenyl)prop-2-ynyl] acetate
CID 25111612
5-[2-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,3-benzodioxole
CID 170459628
5-(3,4,5-trimethoxyphenyl)pent-2-en-4-ynoic acid
CID 54023522
2,7-bis[2-(3,4,5-trimethoxyphenyl)ethynyl]naphthalene
CID 171920382
[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 174357857
1,2,3-trimethoxy-5-[(Z)-6-(3,4,5-trimethoxyphenyl)hex-3-en-1,5-diynyl]benzene
CID 171369103
(2R)-3-methyl-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 93182014
S-[3-(3,4,5-trimethoxyphenyl)prop-2-ynyl] 2-oxopropanethioate
CID 167484971
5-[2-(4-ethylphenyl)ethynyl]-1,2,3-trimethoxybenzene
CID 10590035
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 116914683

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide?
The IUPAC name of N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide (CID 19769882) is N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide is COc1cc(C#Cc2cccc(C(C)N(O)C(C)=O)c2)cc(OC)c1OC.
What is the InChIKey of N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide?
The InChIKey is KPFJODZKZYEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-14(22(24)15(2)23)18-8-6-7-16(11-18)9-10-17-12-19(25-3)21(27-5)20(13-17)26-4/h6-8,11-14,24H,1-5H3.
What are the key properties of N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide?
N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-[3-[2-(3,4,5-trimethoxyphenyl)ethynyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 19769882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).