2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide

C27H36N4O3 — CID 10139738

IUPAC2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCN3CCNC3=O)CC2)cc1
InChIInChI=1S/C27H36N4O3/c1-21-3-5-23(6-4-21)20-31(26(32)19-22-7-9-25(34-2)10-8-22)24-11-14-29(15-12-24)17-18-30-16-13-28-27(30)33/h3-10,24H,11-20H2,1-2H3,(H,28,33)
InChIKeyDMIDBVYSZBUTBY-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.06
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide

2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide (PubChem CID 10139738) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
PubChem CID10139738
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCN3CCNC3=O)CC2)cc1
InChIInChI=1S/C27H36N4O3/c1-21-3-5-23(6-4-21)20-31(26(32)19-22-7-9-25(34-2)10-8-22)24-11-14-29(15-12-24)17-18-30-16-13-28-27(30)33/h3-10,24H,11-20H2,1-2H3,(H,28,33)
InChIKeyDMIDBVYSZBUTBY-UHFFFAOYSA-N
XLogP3.06
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide (CID 10139738) is 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide is COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCN3CCNC3=O)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide?
The InChIKey is DMIDBVYSZBUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-21-3-5-23(6-4-21)20-31(26(32)19-22-7-9-25(34-2)10-8-22)24-11-14-29(15-12-24)17-18-30-16-13-28-27(30)33/h3-10,24H,11-20H2,1-2H3,(H,28,33).
What are the key properties of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide?
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide has a molecular weight of 464.61 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10139738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).