methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate

C17H28N2O3 — CID 151378507

IUPACmethyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate
SMILESCOC(=O)CCN1C(=O)C2(CCCCC2)NC12CCCCC2
InChIInChI=1S/C17H28N2O3/c1-22-14(20)8-13-19-15(21)16(9-4-2-5-10-16)18-17(19)11-6-3-7-12-17/h18H,2-13H2,1H3
InChIKeyORXMZLZSLFRCNP-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.34
Rot. Bonds3

About methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate

methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate (PubChem CID 151378507) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate
PubChem CID151378507
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Namemethyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate
SMILESCOC(=O)CCN1C(=O)C2(CCCCC2)NC12CCCCC2
InChIInChI=1S/C17H28N2O3/c1-22-14(20)8-13-19-15(21)16(9-4-2-5-10-16)18-17(19)11-6-3-7-12-17/h18H,2-13H2,1H3
InChIKeyORXMZLZSLFRCNP-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7610723
methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
CID 83256480
10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one
CID 71865109
hydrazinyl 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337140
3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 107507645
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
methyl 3-(1-methyl-2-oxocycloheptyl)propanoate
CID 14691914
methyl 3-[(3R)-1-methyl-2-oxo-3-prop-2-enylpiperidin-3-yl]propanoate
CID 155131372
methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
CID 73013471
15-prop-2-enyl-7,15-diazadispiro[5.1.58.36]hexadecane-14,16-dione
CID 71329902

Frequently Asked Questions

What is the IUPAC name of methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate?
The IUPAC name of methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate (CID 151378507) is methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate.
What is the SMILES notation for methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate?
The canonical SMILES for methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate is COC(=O)CCN1C(=O)C2(CCCCC2)NC12CCCCC2.
What is the InChIKey of methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate?
The InChIKey is ORXMZLZSLFRCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-22-14(20)8-13-19-15(21)16(9-4-2-5-10-16)18-17(19)11-6-3-7-12-17/h18H,2-13H2,1H3.
What are the key properties of methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate?
methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate has a molecular weight of 308.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate is sourced from PubChem (CID 151378507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).