(8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone

C25H30N2O2 — CID 129053869

IUPAC(8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C25H30N2O2/c28-23(22-10-5-2-6-11-22)27-19-24(29-25(20-27)13-14-25)12-7-16-26(17-15-24)18-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2
InChIKeyPNXFTPVSIZWETD-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.12
Rot. Bonds3

About (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone

(8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone (PubChem CID 129053869) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone.

Molecular Properties

Compound Name(8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone
PubChem CID129053869
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C25H30N2O2/c28-23(22-10-5-2-6-11-22)27-19-24(29-25(20-27)13-14-25)12-7-16-26(17-15-24)18-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2
InChIKeyPNXFTPVSIZWETD-UHFFFAOYSA-N
XLogP4.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone?
The IUPAC name of (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone (CID 129053869) is (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone.
What is the SMILES notation for (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone?
The canonical SMILES for (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone is O=C(c1ccccc1)N1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1.
What is the InChIKey of (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone?
The InChIKey is PNXFTPVSIZWETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-23(22-10-5-2-6-11-22)27-19-24(29-25(20-27)13-14-25)12-7-16-26(17-15-24)18-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2.
What are the key properties of (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone?
(8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone has a molecular weight of 390.53 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl)-phenylmethanone is sourced from PubChem (CID 129053869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).