(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C18H29N3O5 — CID 52535708

IUPAC(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)OC[C@H]1CCCCO1)C2=O
InChIInChI=1S/C18H29N3O5/c1-12-6-8-18(9-7-12)16(23)21(17(24)19-18)20-15(22)13(2)26-11-14-5-3-4-10-25-14/h12-14H,3-11H2,1-2H3,(H,19,24)(H,20,22)/t12?,13-,14+,18?/m0/s1
InChIKeyLYMIGEAUXGYHCC-RYTBJUFESA-N
MW367.45 g/mol
LogP1.49
Rot. Bonds5

About (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 52535708) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID52535708
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Name(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)OC[C@H]1CCCCO1)C2=O
InChIInChI=1S/C18H29N3O5/c1-12-6-8-18(9-7-12)16(23)21(17(24)19-18)20-15(22)13(2)26-11-14-5-3-4-10-25-14/h12-14H,3-11H2,1-2H3,(H,19,24)(H,20,22)/t12?,13-,14+,18?/m0/s1
InChIKeyLYMIGEAUXGYHCC-RYTBJUFESA-N
XLogP1.49
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 52535708) is (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide is CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)OC[C@H]1CCCCO1)C2=O.
What is the InChIKey of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is LYMIGEAUXGYHCC-RYTBJUFESA-N. The full InChI is InChI=1S/C18H29N3O5/c1-12-6-8-18(9-7-12)16(23)21(17(24)19-18)20-15(22)13(2)26-11-14-5-3-4-10-25-14/h12-14H,3-11H2,1-2H3,(H,19,24)(H,20,22)/t12?,13-,14+,18?/m0/s1.
What are the key properties of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 367.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 52535708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).