N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

C16H17NO5 — CID 10063540

IUPACN-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCc2ccc(O)c(O)c2)ccc1O
InChIInChI=1S/C16H17NO5/c1-22-15-7-10(2-5-13(15)19)8-16(21)17-9-11-3-4-12(18)14(20)6-11/h2-7,18-20H,8-9H2,1H3,(H,17,21)
InChIKeyNAKIWOLCKKUJKV-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.67
Rot. Bonds5

About N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide (PubChem CID 10063540) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
PubChem CID10063540
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCc2ccc(O)c(O)c2)ccc1O
InChIInChI=1S/C16H17NO5/c1-22-15-7-10(2-5-13(15)19)8-16(21)17-9-11-3-4-12(18)14(20)6-11/h2-7,18-20H,8-9H2,1H3,(H,17,21)
InChIKeyNAKIWOLCKKUJKV-UHFFFAOYSA-N
XLogP1.67
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl-[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propylazaniumyl]butyl]azanium
CID 71597495
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55638373
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
CID 113199023
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113199035
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 55690888
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide (CID 10063540) is N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide is COc1cc(CC(=O)NCc2ccc(O)c(O)c2)ccc1O.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The InChIKey is NAKIWOLCKKUJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-22-15-7-10(2-5-13(15)19)8-16(21)17-9-11-3-4-12(18)14(20)6-11/h2-7,18-20H,8-9H2,1H3,(H,17,21).
What are the key properties of N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide has a molecular weight of 303.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 10063540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).