2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

C17H25N3O3 — CID 118738757

IUPAC2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCC(C)C(=O)NC1COC2(CCN(C(=O)c3ccc[nH]3)CC2)C1
InChIInChI=1S/C17H25N3O3/c1-12(2)15(21)19-13-10-17(23-11-13)5-8-20(9-6-17)16(22)14-4-3-7-18-14/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3,(H,19,21)
InChIKeyNMCTZNDEERQCDV-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.55
Rot. Bonds3

About 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (PubChem CID 118738757) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
PubChem CID118738757
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCC(C)C(=O)NC1COC2(CCN(C(=O)c3ccc[nH]3)CC2)C1
InChIInChI=1S/C17H25N3O3/c1-12(2)15(21)19-13-10-17(23-11-13)5-8-20(9-6-17)16(22)14-4-3-7-18-14/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3,(H,19,21)
InChIKeyNMCTZNDEERQCDV-UHFFFAOYSA-N
XLogP1.55
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (CID 118738757) is 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is CC(C)C(=O)NC1COC2(CCN(C(=O)c3ccc[nH]3)CC2)C1.
What is the InChIKey of 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The InChIKey is NMCTZNDEERQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)15(21)19-13-10-17(23-11-13)5-8-20(9-6-17)16(22)14-4-3-7-18-14/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide has a molecular weight of 319.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is sourced from PubChem (CID 118738757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).