4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide

C106H123N7O41 — CID 158233283

IUPAC4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide
SMILESC=C(C)OCOc1cc(NC(C)=O)cc(OCOC(=C)C)c1C(=O)O.C=C(C)OCOc1cc(NC(C)=O)ccc1C(=O)O.C=C(C)OCOc1ccc(CC)cc1C(=O)O.C=C(C)OCOc1ccc(NC(C)=O)c(C(=O)O)c1.C=C(C)OCOc1ccc(NC(C)=O)cc1C(=O)O.C=C(C)OCOc1cccc(NC(C)=O)c1.C=COCOc1ccc(NC(C)=O)cc1C(=O)O.C=COCOc1cccc(NC(C)=O)c1C(=O)O.O=C=O
InChIInChI=1S/C17H21NO7.3C13H15NO5.C13H16O4.2C12H13NO5.C12H15NO3.CO2/c1-10(2)22-8-24-14-6-13(18-12(5)19)7-15(16(14)17(20)21)25-9-23-11(3)4;1-8(2)18-7-19-10-4-5-12(14-9(3)15)11(6-10)13(16)17;1-8(2)18-7-19-12-5-4-10(14-9(3)15)6-11(12)13(16)17;1-8(2)18-7-19-12-6-10(14-9(3)15)4-5-11(12)13(16)17;1-4-10-5-6-12(11(7-10)13(14)15)17-8-16-9(2)3;1-3-17-7-18-11-5-4-9(13-8(2)14)6-10(11)12(15)16;1-3-17-7-18-10-6-4-5-9(13-8(2)14)11(10)12(15)16;1-9(2)15-8-16-12-6-4-5-11(7-12)13-10(3)14;2-1-3/h6-7H,1,3,8-9H2,2,4-5H3,(H,18,19)(H,20,21);3*4-6H,1,7H2,2-3H3,(H,14,15)(H,16,17);5-7H,2,4,8H2,1,3H3,(H,14,15);2*3-6H,1,7H2,2H3,(H,13,14)(H,15,16);4-7H,1,8H2,2-3H3,(H,13,14);
InChIKeyGEQJOAFSXFUBTR-UHFFFAOYSA-N
MW2151.16 g/mol
LogP18.27
Rot. Bonds51

About 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide

4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide (PubChem CID 158233283) has the molecular formula C106H123N7O41 and a molecular weight of 2151.16 g/mol. Its IUPAC name is 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide.

Molecular Properties

Compound Name4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide
PubChem CID158233283
Molecular FormulaC106H123N7O41
Molecular Weight2151.16 g/mol
Exact Mass2149.78
IUPAC Name4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide
SMILESC=C(C)OCOc1cc(NC(C)=O)cc(OCOC(=C)C)c1C(=O)O.C=C(C)OCOc1cc(NC(C)=O)ccc1C(=O)O.C=C(C)OCOc1ccc(CC)cc1C(=O)O.C=C(C)OCOc1ccc(NC(C)=O)c(C(=O)O)c1.C=C(C)OCOc1ccc(NC(C)=O)cc1C(=O)O.C=C(C)OCOc1cccc(NC(C)=O)c1.C=COCOc1ccc(NC(C)=O)cc1C(=O)O.C=COCOc1cccc(NC(C)=O)c1C(=O)O.O=C=O
InChIInChI=1S/C17H21NO7.3C13H15NO5.C13H16O4.2C12H13NO5.C12H15NO3.CO2/c1-10(2)22-8-24-14-6-13(18-12(5)19)7-15(16(14)17(20)21)25-9-23-11(3)4;1-8(2)18-7-19-10-4-5-12(14-9(3)15)11(6-10)13(16)17;1-8(2)18-7-19-12-5-4-10(14-9(3)15)6-11(12)13(16)17;1-8(2)18-7-19-12-6-10(14-9(3)15)4-5-11(12)13(16)17;1-4-10-5-6-12(11(7-10)13(14)15)17-8-16-9(2)3;1-3-17-7-18-11-5-4-9(13-8(2)14)6-10(11)12(15)16;1-3-17-7-18-10-6-4-5-9(13-8(2)14)11(10)12(15)16;1-9(2)15-8-16-12-6-4-5-11(7-12)13-10(3)14;2-1-3/h6-7H,1,3,8-9H2,2,4-5H3,(H,18,19)(H,20,21);3*4-6H,1,7H2,2-3H3,(H,14,15)(H,16,17);5-7H,2,4,8H2,1,3H3,(H,14,15);2*3-6H,1,7H2,2H3,(H,13,14)(H,15,16);4-7H,1,8H2,2-3H3,(H,13,14);
InChIKeyGEQJOAFSXFUBTR-UHFFFAOYSA-N
XLogP18.27
TPSA665.08 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds51
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002151.16
LogP ≤ 518.27
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide with MolForge

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Related Compounds

4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid
CID 20793514
5-[(4-acetamidocyclohexanecarbonyl)amino]-2-(prop-1-en-2-yloxymethoxy)benzoic acid
CID 20793532
N-[2-ethenyl-3-[1-[3-(2-phenylethoxy)anilino]ethenyl]phenyl]acetamide
CID 142852975
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525
2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086764
4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid
CID 110178303
5-acetamido-2-(prop-2-enoylamino)benzoic acid
CID 24696899
2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086692
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17130494
5-(prop-2-enoxycarbonylamino)-2-prop-2-enoxycarbonyloxybenzoic acid
CID 139741129
2-(3-propoxyanilino)benzoic acid
CID 154130973

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide?
The IUPAC name of 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide (CID 158233283) is 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide.
What is the SMILES notation for 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide?
The canonical SMILES for 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide is C=C(C)OCOc1cc(NC(C)=O)cc(OCOC(=C)C)c1C(=O)O.C=C(C)OCOc1cc(NC(C)=O)ccc1C(=O)O.C=C(C)OCOc1ccc(CC)cc1C(=O)O.C=C(C)OCOc1ccc(NC(C)=O)c(C(=O)O)c1.C=C(C)OCOc1ccc(NC(C)=O)cc1C(=O)O.C=C(C)OCOc1cccc(NC(C)=O)c1.C=COCOc1ccc(NC(C)=O)cc1C(=O)O.C=COCOc1cccc(NC(C)=O)c1C(=O)O.O=C=O.
What is the InChIKey of 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide?
The InChIKey is GEQJOAFSXFUBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO7.3C13H15NO5.C13H16O4.2C12H13NO5.C12H15NO3.CO2/c1-10(2)22-8-24-14-6-13(18-12(5)19)7-15(16(14)17(20)21)25-9-23-11(3)4;1-8(2)18-7-19-10-4-5-12(14-9(3)15)11(6-10)13(16)17;1-8(2)18-7-19-12-5-4-10(14-9(3)15)6-11(12)13(16)17;1-8(2)18-7-19-12-6-10(14-9(3)15)4-5-11(12)13(16)17;1-4-10-5-6-12(11(7-10)13(14)15)17-8-16-9(2)3;1-3-17-7-18-11-5-4-9(13-8(2)14)6-10(11)12(15)16;1-3-17-7-18-10-6-4-5-9(13-8(2)14)11(10)12(15)16;1-9(2)15-8-16-12-6-4-5-11(7-12)13-10(3)14;2-1-3/h6-7H,1,3,8-9H2,2,4-5H3,(H,18,19)(H,20,21);3*4-6H,1,7H2,2-3H3,(H,14,15)(H,16,17);5-7H,2,4,8H2,1,3H3,(H,14,15);2*3-6H,1,7H2,2H3,(H,13,14)(H,15,16);4-7H,1,8H2,2-3H3,(H,13,14);.
What are the key properties of 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide?
4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide has a molecular weight of 2151.16 g/mol, XLogP of 18.27, 51 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2,6-bis(prop-1-en-2-yloxymethoxy)benzoic acid;2-acetamido-6-(ethenoxymethoxy)benzoic acid;5-acetamido-2-(ethenoxymethoxy)benzoic acid;2-acetamido-5-(prop-1-en-2-yloxymethoxy)benzoic acid;4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;5-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid;carbon dioxide;5-ethyl-2-(prop-1-en-2-yloxymethoxy)benzoic acid;N-[3-(prop-1-en-2-yloxymethoxy)phenyl]acetamide is sourced from PubChem (CID 158233283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).