N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide

C21H23NO7 — CID 155141157

IUPACN-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide
SMILESCOc1cc(C(C)=O)cc(CN(C(C)=O)c2cc(C(C)=O)cc(OC)c2O)c1O
InChIInChI=1S/C21H23NO7/c1-11(23)14-6-16(20(26)18(8-14)28-4)10-22(13(3)25)17-7-15(12(2)24)9-19(29-5)21(17)27/h6-9,26-27H,10H2,1-5H3
InChIKeyJFFQKNVYZCYJFB-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.07
Rot. Bonds7

About N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide

N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide (PubChem CID 155141157) has the molecular formula C21H23NO7 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide
PubChem CID155141157
Molecular FormulaC21H23NO7
Molecular Weight401.42 g/mol
Exact Mass401.15
IUPAC NameN-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide
SMILESCOc1cc(C(C)=O)cc(CN(C(C)=O)c2cc(C(C)=O)cc(OC)c2O)c1O
InChIInChI=1S/C21H23NO7/c1-11(23)14-6-16(20(26)18(8-14)28-4)10-22(13(3)25)17-7-15(12(2)24)9-19(29-5)21(17)27/h6-9,26-27H,10H2,1-5H3
InChIKeyJFFQKNVYZCYJFB-UHFFFAOYSA-N
XLogP3.07
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(5-acetyl-2-hydroxy-3-methoxyanilino)methyl]-4-hydroxy-5-methoxyphenyl]ethanone
CID 53327965
ethyl (E)-4-(5-acetyl-2-hydroxy-3-methoxyphenyl)but-2-enoate
CID 18951947
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
3-(2,2-dimethylpropyl)-4-hydroxy-5-methoxybenzoic acid
CID 163051387
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
methyl 2-[4-acetyl-2-[(5-acetyl-2-hydroxy-3-methoxyanilino)methyl]-6-methoxyphenoxy]acetate
CID 155141114
1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84676009
2-[carboxymethyl-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 104667211
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
N-[(2,5-dimethoxyphenyl)methyl]-N-(2,6-dimethyl-3-pyridinyl)acetamide
CID 143936412

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide (CID 155141157) is N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide is COc1cc(C(C)=O)cc(CN(C(C)=O)c2cc(C(C)=O)cc(OC)c2O)c1O.
What is the InChIKey of N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide?
The InChIKey is JFFQKNVYZCYJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO7/c1-11(23)14-6-16(20(26)18(8-14)28-4)10-22(13(3)25)17-7-15(12(2)24)9-19(29-5)21(17)27/h6-9,26-27H,10H2,1-5H3.
What are the key properties of N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide?
N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-hydroxy-3-methoxyphenyl)-N-[(5-acetyl-2-hydroxy-3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 155141157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).