acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine)

C140H198N14O17 — CID 159551557

About acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine)

acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine) (PubChem CID 159551557) has the molecular formula C140H198N14O17 and a molecular weight of 2349.20 g/mol. Its IUPAC name is acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine).

Molecular Properties

• Compound Name: acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine)
• PubChem CID: 159551557
• Molecular Formula: C140H198N14O17
• Molecular Weight: 2349.20 g/mol
• Exact Mass: 2347.51
• IUPAC Name: acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine)
• SMILES: CC.CC(C)(C)OC(=O)NCCC1CCCc2cc(O)ccc21.CC(N)=O.CC(N)=O.CC(N)=O.CC(N)=O.CCC1CCCc2cc(OC)ccc21.COc1ccc2c(c1)CCCC2=O.COc1ccc2c(c1)CCCC2CC#N.COc1ccc2c(c1)CCCC2CCN.COc1ccc2c(c1)CCCC2CCN.COc1ccc2c(c1)CCCC2CCNC(=O)OC(C)(C)C.NCCC1CCCc2cc(O)ccc21.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C18H27NO3.C17H25NO3.2C13H19NO.C13H15NO.C13H18O.C12H17NO.C11H12O2.4C5H5N.4C2H5NO.C2H6/c1-18(2,3)22-17(20)19-11-10-13-6-5-7-14-12-15(21-4)8-9-16(13)14;1-17(2,3)21-16(20)18-10-9-12-5-4-6-13-11-14(19)7-8-15(12)13;3*1-15-12-5-6-13-10(7-8-14)3-2-4-11(13)9-12;1-3-10-5-4-6-11-9-12(14-2)7-8-13(10)11;13-7-6-9-2-1-3-10-8-11(14)4-5-12(9)10;1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;4*1-2-4-6-5-3-1;4*1-2(3)4;1-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,19,20);7-8,11-12,19H,4-6,9-10H2,1-3H3,(H,18,20);2*5-6,9-10H,2-4,7-8,14H2,1H3;5-6,9-10H,2-4,7H2,1H3;7-10H,3-6H2,1-2H3;4-5,8-9,14H,1-3,6-7,13H2;5-7H,2-4H2,1H3;4*1-5H;4*1H3,(H2,3,4);1-2H3
• InChIKey: MFLMQKNBUZIUEP-UHFFFAOYSA-N
• XLogP: 26.93
• TPSA: 515.34 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.20
LogP ≤ 5	26.93
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine)?

The IUPAC name of acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine) (CID 159551557) is acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine).

What is the SMILES notation for acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine)?

The canonical SMILES for acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine) is CC.CC(C)(C)OC(=O)NCCC1CCCc2cc(O)ccc21.CC(N)=O.CC(N)=O.CC(N)=O.CC(N)=O.CCC1CCCc2cc(OC)ccc21.COc1ccc2c(c1)CCCC2=O.COc1ccc2c(c1)CCCC2CC#N.COc1ccc2c(c1)CCCC2CCN.COc1ccc2c(c1)CCCC2CCN.COc1ccc2c(c1)CCCC2CCNC(=O)OC(C)(C)C.NCCC1CCCc2cc(O)ccc21.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine)?

The InChIKey is MFLMQKNBUZIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3.C17H25NO3.2C13H19NO.C13H15NO.C13H18O.C12H17NO.C11H12O2.4C5H5N.4C2H5NO.C2H6/c1-18(2,3)22-17(20)19-11-10-13-6-5-7-14-12-15(21-4)8-9-16(13)14;1-17(2,3)21-16(20)18-10-9-12-5-4-6-13-11-14(19)7-8-15(12)13;3*1-15-12-5-6-13-10(7-8-14)3-2-4-11(13)9-12;1-3-10-5-4-6-11-9-12(14-2)7-8-13(10)11;13-7-6-9-2-1-3-10-8-11(14)4-5-12(9)10;1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;4*1-2-4-6-5-3-1;4*1-2(3)4;1-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,19,20);7-8,11-12,19H,4-6,9-10H2,1-3H3,(H,18,20);2*5-6,9-10H,2-4,7-8,14H2,1H3;5-6,9-10H,2-4,7H2,1H3;7-10H,3-6H2,1-2H3;4-5,8-9,14H,1-3,6-7,13H2;5-7H,2-4H2,1H3;4*1-5H;4*1H3,(H2,3,4);1-2H3.

What are the key properties of acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine)?

acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine) has a molecular weight of 2349.20 g/mol, XLogP of 26.93, 20 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for acetamide;5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;tert-butyl N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;tert-butyl N-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamate;ethane;1-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetonitrile;bis(2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine);tetrakis(pyridine) is sourced from PubChem (CID 159551557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).