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

C17H32N2O3 — CID 135332748

IUPAC2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCOC(C)C)CC2)OC(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
InChIKeyXRHDBKXNSZLNFZ-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.90
Rot. Bonds6

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

2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332748) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332748
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCOC(C)C)CC2)OC(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
InChIKeyXRHDBKXNSZLNFZ-UHFFFAOYSA-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

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

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Launch Full Analysis

Related Compounds

(2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332831
(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 137370776
(2S)-9-(3,3-dimethylbutyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332875
9-(3,3-dimethylbutyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332876
2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
(2S)-9-(2,2-dimethylpropyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374785
4-cyclopropyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332721
8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 137370665
(2R)-9-[2-(2,5-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374652
12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one
CID 129053663
4-[[(2S,6R)-4-ethyl-2-methyl-3-oxo-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]methyl]benzonitrile
CID 129070049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332748) is 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 2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 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)OC(C)C1=O.
What is the InChIKey of 2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XRHDBKXNSZLNFZ-UHFFFAOYSA-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.
What are the key properties of 2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
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 2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).