2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide

C24H31N3O4 — CID 9092899

IUPAC2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)ccc1OCC(N)=O
InChIInChI=1S/C24H31N3O4/c1-17(2)19-6-4-18(5-7-19)15-26-10-12-27(13-11-26)24(29)20-8-9-21(22(14-20)30-3)31-16-23(25)28/h4-9,14,17H,10-13,15-16H2,1-3H3,(H2,25,28)
InChIKeyIUVYMDSAXIXSSX-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.64
Rot. Bonds8

About 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide

2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 9092899) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID9092899
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)ccc1OCC(N)=O
InChIInChI=1S/C24H31N3O4/c1-17(2)19-6-4-18(5-7-19)15-26-10-12-27(13-11-26)24(29)20-8-9-21(22(14-20)30-3)31-16-23(25)28/h4-9,14,17H,10-13,15-16H2,1-3H3,(H2,25,28)
InChIKeyIUVYMDSAXIXSSX-UHFFFAOYSA-N
XLogP2.64
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide (CID 9092899) is 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide is COc1cc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is IUVYMDSAXIXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17(2)19-6-4-18(5-7-19)15-26-10-12-27(13-11-26)24(29)20-8-9-21(22(14-20)30-3)31-16-23(25)28/h4-9,14,17H,10-13,15-16H2,1-3H3,(H2,25,28).
What are the key properties of 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 9092899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).