2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide

C22H35N3O3 — CID 56665509

IUPAC2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCOCC1
InChIInChI=1S/C22H35N3O3/c1-4-28-20-8-6-5-7-19(20)21(26)23-17-22(9-15-27-16-10-22)25-13-11-24(12-14-25)18(2)3/h5-8,18H,4,9-17H2,1-3H3,(H,23,26)
InChIKeyQSDOZSRIMYNGLX-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.39
Rot. Bonds7

About 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide

2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide (PubChem CID 56665509) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide
PubChem CID56665509
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCOCC1
InChIInChI=1S/C22H35N3O3/c1-4-28-20-8-6-5-7-19(20)21(26)23-17-22(9-15-27-16-10-22)25-13-11-24(12-14-25)18(2)3/h5-8,18H,4,9-17H2,1-3H3,(H,23,26)
InChIKeyQSDOZSRIMYNGLX-UHFFFAOYSA-N
XLogP2.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide (CID 56665509) is 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide is CCOc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCOCC1.
What is the InChIKey of 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide?
The InChIKey is QSDOZSRIMYNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-4-28-20-8-6-5-7-19(20)21(26)23-17-22(9-15-27-16-10-22)25-13-11-24(12-14-25)18(2)3/h5-8,18H,4,9-17H2,1-3H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide?
2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide has a molecular weight of 389.54 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-(4-propan-2-ylpiperazin-1-yl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 56665509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).