N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C27H31N3O4 — CID 1397624

IUPACN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1
InChIInChI=1S/C27H31N3O4/c1-19(2)23-11-6-20(3)17-25(23)34-18-26(31)28-21-7-9-22(10-8-21)29-12-14-30(15-13-29)27(32)24-5-4-16-33-24/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,28,31)
InChIKeyLFSGYUFGRUIFLV-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.69
Rot. Bonds7

About N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 1397624) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID1397624
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1
InChIInChI=1S/C27H31N3O4/c1-19(2)23-11-6-20(3)17-25(23)34-18-26(31)28-21-7-9-22(10-8-21)29-12-14-30(15-13-29)27(32)24-5-4-16-33-24/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,28,31)
InChIKeyLFSGYUFGRUIFLV-UHFFFAOYSA-N
XLogP4.69
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 3161566
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 3161569
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17335393
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922502
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 3847124
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 17111893
N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 5346300
2-(2,4-dimethylphenoxy)-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 979705
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 1090215
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 921044

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 1397624) is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is LFSGYUFGRUIFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-19(2)23-11-6-20(3)17-25(23)34-18-26(31)28-21-7-9-22(10-8-21)29-12-14-30(15-13-29)27(32)24-5-4-16-33-24/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,28,31).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 461.56 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1397624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).