N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride

C96H130ClN11O20 — CID 160779253

IUPACN-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCCOC(=O)C(C)C(C)=O.CCc1[nH]c2cc(OC)c(C(C)C)cc2c1C.CCc1[nH]c2cc(Oc3cnc(N)nc3N)c(C(C)C)cc2c1C.COc1cc(N)ccc1C(C)C.COc1cc(NC(C)=O)ccc1C(C)(C)O.COc1cc(NC(C)=O)ccc1C(C)=O.COc1cc(NC(C)=O)ccc1C(C)C.COc1cccc(NC(C)=O)c1.Cl.O=C=O.O=C=O
InChIInChI=1S/C18H23N5O.C15H21NO.C12H17NO3.C12H17NO2.C11H13NO3.C10H15NO.C9H11NO2.C7H12O3.2CO2.ClH/c1-5-13-10(4)12-6-11(9(2)3)15(7-14(12)22-13)24-16-8-21-18(20)23-17(16)19;1-6-13-10(4)12-7-11(9(2)3)15(17-5)8-14(12)16-13;1-8(14)13-9-5-6-10(12(2,3)15)11(7-9)16-4;1-8(2)11-6-5-10(13-9(3)14)7-12(11)15-4;1-7(13)10-5-4-9(12-8(2)14)6-11(10)15-3;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(11)10-8-4-3-5-9(6-8)12-2;1-4-10-7(9)5(2)6(3)8;2*2-1-3;/h6-9,22H,5H2,1-4H3,(H4,19,20,21,23);7-9,16H,6H2,1-5H3;5-7,15H,1-4H3,(H,13,14);5-8H,1-4H3,(H,13,14);4-6H,1-3H3,(H,12,14);4-7H,11H2,1-3H3;3-6H,1-2H3,(H,10,11);5H,4H2,1-3H3;;;1H
InChIKeyFKZCYNSDNUBNJH-UHFFFAOYSA-N
MW1793.61 g/mol
LogP18.68
Rot. Bonds23

About N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride

N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 160779253) has the molecular formula C96H130ClN11O20 and a molecular weight of 1793.61 g/mol. Its IUPAC name is N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID160779253
Molecular FormulaC96H130ClN11O20
Molecular Weight1793.61 g/mol
Exact Mass1791.92
IUPAC NameN-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCCOC(=O)C(C)C(C)=O.CCc1[nH]c2cc(OC)c(C(C)C)cc2c1C.CCc1[nH]c2cc(Oc3cnc(N)nc3N)c(C(C)C)cc2c1C.COc1cc(N)ccc1C(C)C.COc1cc(NC(C)=O)ccc1C(C)(C)O.COc1cc(NC(C)=O)ccc1C(C)=O.COc1cc(NC(C)=O)ccc1C(C)C.COc1cccc(NC(C)=O)c1.Cl.O=C=O.O=C=O
InChIInChI=1S/C18H23N5O.C15H21NO.C12H17NO3.C12H17NO2.C11H13NO3.C10H15NO.C9H11NO2.C7H12O3.2CO2.ClH/c1-5-13-10(4)12-6-11(9(2)3)15(7-14(12)22-13)24-16-8-21-18(20)23-17(16)19;1-6-13-10(4)12-7-11(9(2)3)15(17-5)8-14(12)16-13;1-8(14)13-9-5-6-10(12(2,3)15)11(7-9)16-4;1-8(2)11-6-5-10(13-9(3)14)7-12(11)15-4;1-7(13)10-5-4-9(12-8(2)14)6-11(10)15-3;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(11)10-8-4-3-5-9(6-8)12-2;1-4-10-7(9)5(2)6(3)8;2*2-1-3;/h6-9,22H,5H2,1-4H3,(H4,19,20,21,23);7-9,16H,6H2,1-5H3;5-7,15H,1-4H3,(H,13,14);5-8H,1-4H3,(H,13,14);4-6H,1-3H3,(H,12,14);4-7H,11H2,1-3H3;3-6H,1-2H3,(H,10,11);5H,4H2,1-3H3;;;1H
InChIKeyFKZCYNSDNUBNJH-UHFFFAOYSA-N
XLogP18.68
TPSA465.38 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001793.61
LogP ≤ 518.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride (CID 160779253) is N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride is CCOC(=O)C(C)C(C)=O.CCc1[nH]c2cc(OC)c(C(C)C)cc2c1C.CCc1[nH]c2cc(Oc3cnc(N)nc3N)c(C(C)C)cc2c1C.COc1cc(N)ccc1C(C)C.COc1cc(NC(C)=O)ccc1C(C)(C)O.COc1cc(NC(C)=O)ccc1C(C)=O.COc1cc(NC(C)=O)ccc1C(C)C.COc1cccc(NC(C)=O)c1.Cl.O=C=O.O=C=O.
What is the InChIKey of N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is FKZCYNSDNUBNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.C15H21NO.C12H17NO3.C12H17NO2.C11H13NO3.C10H15NO.C9H11NO2.C7H12O3.2CO2.ClH/c1-5-13-10(4)12-6-11(9(2)3)15(7-14(12)22-13)24-16-8-21-18(20)23-17(16)19;1-6-13-10(4)12-7-11(9(2)3)15(17-5)8-14(12)16-13;1-8(14)13-9-5-6-10(12(2,3)15)11(7-9)16-4;1-8(2)11-6-5-10(13-9(3)14)7-12(11)15-4;1-7(13)10-5-4-9(12-8(2)14)6-11(10)15-3;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(11)10-8-4-3-5-9(6-8)12-2;1-4-10-7(9)5(2)6(3)8;2*2-1-3;/h6-9,22H,5H2,1-4H3,(H4,19,20,21,23);7-9,16H,6H2,1-5H3;5-7,15H,1-4H3,(H,13,14);5-8H,1-4H3,(H,13,14);4-6H,1-3H3,(H,12,14);4-7H,11H2,1-3H3;3-6H,1-2H3,(H,10,11);5H,4H2,1-3H3;;;1H.
What are the key properties of N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride?
N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 1793.61 g/mol, XLogP of 18.68, 23 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-methoxyphenyl)acetamide;bis(carbon dioxide);2-ethyl-6-methoxy-3-methyl-5-propan-2-yl-1H-indole;ethyl 2-methyl-3-oxobutanoate;5-[(2-ethyl-3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine;N-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]acetamide;N-(3-methoxyphenyl)acetamide;3-methoxy-4-propan-2-ylaniline;N-(3-methoxy-4-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 160779253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).