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

Name: Methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₈N₂O₃ — CID 151378507

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate
PubChem CID	151378507
Molecular Formula	C₁₇H₂₈N₂O₃
Molecular Weight	308.42 g/mol
Exact Mass	308.21
IUPAC Name	methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate
SMILES	COC(=O)CCN1C(=O)C2(CCCCC2)NC12CCCCC2
InChI	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
InChIKey	ORXMZLZSLFRCNP-UHFFFAOYSA-N
XLogP	2.34
TPSA	58.64 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.42
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 151378507 — identifiers, structure, computed properties (public domain)

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