4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide

C26H32N4O4 — CID 646422

IUPAC4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide
SMILESCC(=O)NC(Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C26H32N4O4/c1-17-5-6-18(2)22(15-17)16-24(27-20(4)32)25(33)29-11-13-30(14-12-29)26(34)28-23-9-7-21(8-10-23)19(3)31/h5-10,15,24H,11-14,16H2,1-4H3,(H,27,32)(H,28,34)
InChIKeyVMHJKRUTYXDXMP-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.93
Rot. Bonds6

About 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide

4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide (PubChem CID 646422) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide
PubChem CID646422
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide
SMILESCC(=O)NC(Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C26H32N4O4/c1-17-5-6-18(2)22(15-17)16-24(27-20(4)32)25(33)29-11-13-30(14-12-29)26(34)28-23-9-7-21(8-10-23)19(3)31/h5-10,15,24H,11-14,16H2,1-4H3,(H,27,32)(H,28,34)
InChIKeyVMHJKRUTYXDXMP-UHFFFAOYSA-N
XLogP2.93
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide (CID 646422) is 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide is CC(=O)NC(Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide?
The InChIKey is VMHJKRUTYXDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-5-6-18(2)22(15-17)16-24(27-20(4)32)25(33)29-11-13-30(14-12-29)26(34)28-23-9-7-21(8-10-23)19(3)31/h5-10,15,24H,11-14,16H2,1-4H3,(H,27,32)(H,28,34).
What are the key properties of 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide?
4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-acetamido-3-(2,5-dimethylphenyl)propanoyl]-N-(4-acetylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 646422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).