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

C17H32N2O3 — CID 135332746

IUPAC(2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCOC(C)C)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C17H32N2O3/c1-5-8-19-13-17(22-15(4)16(19)20)6-9-18(10-7-17)11-12-21-14(2)3/h14-15H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyXRHDBKXNSZLNFZ-HNNXBMFYSA-N
MW312.45 g/mol
LogP1.90
Rot. Bonds6

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

(2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332746) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332746
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name(2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCOC(C)C)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C17H32N2O3/c1-5-8-19-13-17(22-15(4)16(19)20)6-9-18(10-7-17)11-12-21-14(2)3/h14-15H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyXRHDBKXNSZLNFZ-HNNXBMFYSA-N
XLogP1.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332746) is (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCCN1CC2(CCN(CCOC(C)C)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XRHDBKXNSZLNFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-8-19-13-17(22-15(4)16(19)20)6-9-18(10-7-17)11-12-21-14(2)3/h14-15H,5-13H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 312.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).