3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide

C23H29N3O3 — CID 647588

IUPAC3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-4-29-19-9-7-8-18(16-19)22(27)24-20-10-5-6-11-21(20)25-12-14-26(15-13-25)23(28)17(2)3/h5-11,16-17H,4,12-15H2,1-3H3,(H,24,27)
InChIKeyYZVLTTMYSYJYTQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.64
Rot. Bonds6

About 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide

3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 647588) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID647588
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-4-29-19-9-7-8-18(16-19)22(27)24-20-10-5-6-11-21(20)25-12-14-26(15-13-25)23(28)17(2)3/h5-11,16-17H,4,12-15H2,1-3H3,(H,24,27)
InChIKeyYZVLTTMYSYJYTQ-UHFFFAOYSA-N
XLogP3.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide (CID 647588) is 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide is CCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1.
What is the InChIKey of 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is YZVLTTMYSYJYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-29-19-9-7-8-18(16-19)22(27)24-20-10-5-6-11-21(20)25-12-14-26(15-13-25)23(28)17(2)3/h5-11,16-17H,4,12-15H2,1-3H3,(H,24,27).
What are the key properties of 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 647588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).