N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide

C99H86N6O33 — CID 159839630

IUPACN,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide
SMILESO=C(Cc1ccc(O)c(O)c1)NCc1ccc(O)c(O)c1.O=C(Cc1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1.O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1.O=C(Nc1ccc(Oc2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1.O=C(Nc1ccccc1Oc1ccc(O)c(O)c1)c1ccc(O)c(O)c1.Oc1ccc(Oc2cccc(Oc3ccc(O)c(O)c3)n2)cc1O
InChIInChI=1S/2C19H15NO6.C17H13NO6.2C15H15NO5.C14H13NO5/c21-15-7-1-11(9-17(15)23)19(25)20-12-2-4-13(5-3-12)26-14-6-8-16(22)18(24)10-14;21-14-7-5-11(9-16(14)23)19(25)20-13-3-1-2-4-18(13)26-12-6-8-15(22)17(24)10-12;19-12-6-4-10(8-14(12)21)23-16-2-1-3-17(18-16)24-11-5-7-13(20)15(22)9-11;17-11-3-1-9(5-13(11)19)7-15(21)16-8-10-2-4-12(18)14(20)6-10;17-11-3-1-9(7-13(11)19)5-6-16-15(21)10-2-4-12(18)14(20)8-10;16-10-3-1-8(5-12(10)18)6-14(20)15-9-2-4-11(17)13(19)7-9/h2*1-10,21-24H,(H,20,25);1-9,19-22H;1-6,17-20H,7-8H2,(H,16,21);1-4,7-8,17-20H,5-6H2,(H,16,21);1-5,7,16-19H,6H2,(H,15,20)
InChIKeyNONAQZMGFWKTKI-UHFFFAOYSA-N
MW1887.79 g/mol
LogP15.14
Rot. Bonds23

About N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide

N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide (PubChem CID 159839630) has the molecular formula C99H86N6O33 and a molecular weight of 1887.79 g/mol. Its IUPAC name is N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide
PubChem CID159839630
Molecular FormulaC99H86N6O33
Molecular Weight1887.79 g/mol
Exact Mass1886.52
IUPAC NameN,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide
SMILESO=C(Cc1ccc(O)c(O)c1)NCc1ccc(O)c(O)c1.O=C(Cc1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1.O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1.O=C(Nc1ccc(Oc2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1.O=C(Nc1ccccc1Oc1ccc(O)c(O)c1)c1ccc(O)c(O)c1.Oc1ccc(Oc2cccc(Oc3ccc(O)c(O)c3)n2)cc1O
InChIInChI=1S/2C19H15NO6.C17H13NO6.2C15H15NO5.C14H13NO5/c21-15-7-1-11(9-17(15)23)19(25)20-12-2-4-13(5-3-12)26-14-6-8-16(22)18(24)10-14;21-14-7-5-11(9-16(14)23)19(25)20-13-3-1-2-4-18(13)26-12-6-8-15(22)17(24)10-12;19-12-6-4-10(8-14(12)21)23-16-2-1-3-17(18-16)24-11-5-7-13(20)15(22)9-11;17-11-3-1-9(5-13(11)19)7-15(21)16-8-10-2-4-12(18)14(20)6-10;17-11-3-1-9(7-13(11)19)5-6-16-15(21)10-2-4-12(18)14(20)8-10;16-10-3-1-8(5-12(10)18)6-14(20)15-9-2-4-11(17)13(19)7-9/h2*1-10,21-24H,(H,20,25);1-9,19-22H;1-6,17-20H,7-8H2,(H,16,21);1-4,7-8,17-20H,5-6H2,(H,16,21);1-5,7,16-19H,6H2,(H,15,20)
InChIKeyNONAQZMGFWKTKI-UHFFFAOYSA-N
XLogP15.14
TPSA680.83 Ų
H-Bond Donors29
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001887.79
LogP ≤ 515.14
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide with MolForge

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Related Compounds

3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
2-(3,4-dihydroxyphenyl)-N-(2-phenoxyphenyl)acetamide
CID 113199162
[2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate
CID 159314257
2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78799601
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
4-(acetamidomethyl)-N-(2-phenoxyphenyl)benzamide
CID 17417945
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
CID 109045227
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
3,4,5-trihydroxy-N-[2-oxo-2-[4-[3-[[2-[(3,4,5-trihydroxybenzoyl)amino]acetyl]amino]phenoxy]anilino]ethyl]benzamide
CID 25014719
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654

Frequently Asked Questions

What is the IUPAC name of N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide?
The IUPAC name of N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide (CID 159839630) is N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide.
What is the SMILES notation for N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide?
The canonical SMILES for N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide is O=C(Cc1ccc(O)c(O)c1)NCc1ccc(O)c(O)c1.O=C(Cc1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1.O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1.O=C(Nc1ccc(Oc2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1.O=C(Nc1ccccc1Oc1ccc(O)c(O)c1)c1ccc(O)c(O)c1.Oc1ccc(Oc2cccc(Oc3ccc(O)c(O)c3)n2)cc1O.
What is the InChIKey of N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide?
The InChIKey is NONAQZMGFWKTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15NO6.C17H13NO6.2C15H15NO5.C14H13NO5/c21-15-7-1-11(9-17(15)23)19(25)20-12-2-4-13(5-3-12)26-14-6-8-16(22)18(24)10-14;21-14-7-5-11(9-16(14)23)19(25)20-13-3-1-2-4-18(13)26-12-6-8-15(22)17(24)10-12;19-12-6-4-10(8-14(12)21)23-16-2-1-3-17(18-16)24-11-5-7-13(20)15(22)9-11;17-11-3-1-9(5-13(11)19)7-15(21)16-8-10-2-4-12(18)14(20)6-10;17-11-3-1-9(7-13(11)19)5-6-16-15(21)10-2-4-12(18)14(20)8-10;16-10-3-1-8(5-12(10)18)6-14(20)15-9-2-4-11(17)13(19)7-9/h2*1-10,21-24H,(H,20,25);1-9,19-22H;1-6,17-20H,7-8H2,(H,16,21);1-4,7-8,17-20H,5-6H2,(H,16,21);1-5,7,16-19H,6H2,(H,15,20).
What are the key properties of N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide?
N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide has a molecular weight of 1887.79 g/mol, XLogP of 15.14, 23 rotatable bonds, 29 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(3,4-dihydroxyphenyl)acetamide;N-[2-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;N-[4-(3,4-dihydroxyphenoxy)phenyl]-3,4-dihydroxybenzamide;4-[[6-(3,4-dihydroxyphenoxy)-2-pyridinyl]oxy]benzene-1,2-diol;2-(3,4-dihydroxyphenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide;N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 159839630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).