2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H32N2O3 — CID 135332830

IUPAC2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)OCCN1CCC2(CC1)CN(C(C)C)C(=O)C(C)O2
InChIInChI=1S/C17H32N2O3/c1-13(2)19-12-17(22-15(5)16(19)20)6-8-18(9-7-17)10-11-21-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyHJFPREHADYQNED-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332830) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332830
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)OCCN1CCC2(CC1)CN(C(C)C)C(=O)C(C)O2
InChIInChI=1S/C17H32N2O3/c1-13(2)19-12-17(22-15(5)16(19)20)6-8-18(9-7-17)10-11-21-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyHJFPREHADYQNED-UHFFFAOYSA-N
XLogP1.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one 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 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332830) is 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)OCCN1CCC2(CC1)CN(C(C)C)C(=O)C(C)O2.
What is the InChIKey of 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HJFPREHADYQNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-13(2)19-12-17(22-15(5)16(19)20)6-8-18(9-7-17)10-11-21-14(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 312.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).