2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C22H29N3O4 — CID 18161433

IUPAC2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H29N3O4/c1-2-28-19-10-5-4-9-17(19)22(27)24-16-21(26)23-15-18(20-11-8-14-29-20)25-12-6-3-7-13-25/h4-5,8-11,14,18H,2-3,6-7,12-13,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyRYLOKTUDYHBWBK-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.75
Rot. Bonds9

About 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 18161433) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID18161433
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H29N3O4/c1-2-28-19-10-5-4-9-17(19)22(27)24-16-21(26)23-15-18(20-11-8-14-29-20)25-12-6-3-7-13-25/h4-5,8-11,14,18H,2-3,6-7,12-13,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyRYLOKTUDYHBWBK-UHFFFAOYSA-N
XLogP2.75
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 18161433) is 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is RYLOKTUDYHBWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-2-28-19-10-5-4-9-17(19)22(27)24-16-21(26)23-15-18(20-11-8-14-29-20)25-12-6-3-7-13-25/h4-5,8-11,14,18H,2-3,6-7,12-13,15-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18161433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).