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

C16H30N2O3 — CID 135332708

IUPAC(2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCOC(C)C)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C16H30N2O3/c1-5-18-12-16(21-14(4)15(18)19)6-8-17(9-7-16)10-11-20-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyGAIVMZXZKFNMAF-AWEZNQCLSA-N
MW298.43 g/mol
LogP1.51
Rot. Bonds5

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

(2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332708) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332708
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCOC(C)C)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C16H30N2O3/c1-5-18-12-16(21-14(4)15(18)19)6-8-17(9-7-16)10-11-20-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyGAIVMZXZKFNMAF-AWEZNQCLSA-N
XLogP1.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332708) is (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(CCOC(C)C)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GAIVMZXZKFNMAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-18-12-16(21-14(4)15(18)19)6-8-17(9-7-16)10-11-20-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 298.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).