[8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone

C23H34N2O2 — CID 129070041

IUPAC[8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone
SMILESCC(C)CCN1CCCC2(CC1)CN(C(=O)c1ccccc1)CC1(CC1)O2
InChIInChI=1S/C23H34N2O2/c1-19(2)9-15-24-14-6-10-22(13-16-24)17-25(18-23(27-22)11-12-23)21(26)20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3
InChIKeyLCDDJLCGRUCLEJ-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.96
Rot. Bonds4

About [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone

[8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone (PubChem CID 129070041) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone.

Molecular Properties

Compound Name[8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone
PubChem CID129070041
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name[8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone
SMILESCC(C)CCN1CCCC2(CC1)CN(C(=O)c1ccccc1)CC1(CC1)O2
InChIInChI=1S/C23H34N2O2/c1-19(2)9-15-24-14-6-10-22(13-16-24)17-25(18-23(27-22)11-12-23)21(26)20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3
InChIKeyLCDDJLCGRUCLEJ-UHFFFAOYSA-N
XLogP3.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone?
The IUPAC name of [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone (CID 129070041) is [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone.
What is the SMILES notation for [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone?
The canonical SMILES for [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone is CC(C)CCN1CCCC2(CC1)CN(C(=O)c1ccccc1)CC1(CC1)O2.
What is the InChIKey of [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone?
The InChIKey is LCDDJLCGRUCLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-19(2)9-15-24-14-6-10-22(13-16-24)17-25(18-23(27-22)11-12-23)21(26)20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3.
What are the key properties of [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone?
[8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone has a molecular weight of 370.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone is sourced from PubChem (CID 129070041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).