N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide

C78H74N2O8P2 — CID 158656364

IUPACN-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide
SMILESCC(=O)NC1=C(C)Cc2ccccc21.CC(=O)NC1=CCCc2ccccc21.COc1c(OC)c(-c2ccccc2)c(P(c2ccccc2)c2ccccc2)c(-c2c(OC)c(OC)c(OC)c(-c3ccccc3)c2P(c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C54H48O6P2.2C12H13NO/c1-55-47-43(37-25-13-7-14-26-37)53(61(39-29-17-9-18-30-39)40-31-19-10-20-32-40)45(49(57-3)51(47)59-5)46-50(58-4)52(60-6)48(56-2)44(38-27-15-8-16-28-38)54(46)62(41-33-21-11-22-34-41)42-35-23-12-24-36-42;1-8-7-10-5-3-4-6-11(10)12(8)13-9(2)14;1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h7-36H,1-6H3;3-6H,7H2,1-2H3,(H,13,14);2-3,5,7-8H,4,6H2,1H3,(H,13,14)
InChIKeyICENAWYBUWQOPR-UHFFFAOYSA-N
MW1229.40 g/mol
LogP14.48
Rot. Bonds17

About N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide

N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide (PubChem CID 158656364) has the molecular formula C78H74N2O8P2 and a molecular weight of 1229.40 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide
PubChem CID158656364
Molecular FormulaC78H74N2O8P2
Molecular Weight1229.40 g/mol
Exact Mass1228.49
IUPAC NameN-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide
SMILESCC(=O)NC1=C(C)Cc2ccccc21.CC(=O)NC1=CCCc2ccccc21.COc1c(OC)c(-c2ccccc2)c(P(c2ccccc2)c2ccccc2)c(-c2c(OC)c(OC)c(OC)c(-c3ccccc3)c2P(c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C54H48O6P2.2C12H13NO/c1-55-47-43(37-25-13-7-14-26-37)53(61(39-29-17-9-18-30-39)40-31-19-10-20-32-40)45(49(57-3)51(47)59-5)46-50(58-4)52(60-6)48(56-2)44(38-27-15-8-16-28-38)54(46)62(41-33-21-11-22-34-41)42-35-23-12-24-36-42;1-8-7-10-5-3-4-6-11(10)12(8)13-9(2)14;1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h7-36H,1-6H3;3-6H,7H2,1-2H3,(H,13,14);2-3,5,7-8H,4,6H2,1H3,(H,13,14)
InChIKeyICENAWYBUWQOPR-UHFFFAOYSA-N
XLogP14.48
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.40
LogP ≤ 514.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide?
The IUPAC name of N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide (CID 158656364) is N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide?
The canonical SMILES for N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide is CC(=O)NC1=C(C)Cc2ccccc21.CC(=O)NC1=CCCc2ccccc21.COc1c(OC)c(-c2ccccc2)c(P(c2ccccc2)c2ccccc2)c(-c2c(OC)c(OC)c(OC)c(-c3ccccc3)c2P(c2ccccc2)c2ccccc2)c1OC.
What is the InChIKey of N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide?
The InChIKey is ICENAWYBUWQOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48O6P2.2C12H13NO/c1-55-47-43(37-25-13-7-14-26-37)53(61(39-29-17-9-18-30-39)40-31-19-10-20-32-40)45(49(57-3)51(47)59-5)46-50(58-4)52(60-6)48(56-2)44(38-27-15-8-16-28-38)54(46)62(41-33-21-11-22-34-41)42-35-23-12-24-36-42;1-8-7-10-5-3-4-6-11(10)12(8)13-9(2)14;1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h7-36H,1-6H3;3-6H,7H2,1-2H3,(H,13,14);2-3,5,7-8H,4,6H2,1H3,(H,13,14).
What are the key properties of N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide?
N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide has a molecular weight of 1229.40 g/mol, XLogP of 14.48, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-1-yl)acetamide;[2-(2-diphenylphosphanyl-4,5,6-trimethoxy-3-phenylphenyl)-3,4,5-trimethoxy-6-phenylphenyl]-diphenylphosphane;N-(2-methyl-3H-inden-1-yl)acetamide is sourced from PubChem (CID 158656364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).