2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

C17H26N4O2 — CID 97490595

IUPAC2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCc1cnc(N2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)nc1
InChIInChI=1S/C17H26N4O2/c1-12(2)15(22)20-14-8-17(23-11-14)4-6-21(7-5-17)16-18-9-13(3)10-19-16/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyGRLSRURHOBYJGW-AWEZNQCLSA-N
MW318.42 g/mol
LogP1.69
Rot. Bonds3

About 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (PubChem CID 97490595) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
PubChem CID97490595
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCc1cnc(N2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)nc1
InChIInChI=1S/C17H26N4O2/c1-12(2)15(22)20-14-8-17(23-11-14)4-6-21(7-5-17)16-18-9-13(3)10-19-16/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyGRLSRURHOBYJGW-AWEZNQCLSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone
CID 131639011
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
N,N-dimethyl-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840370
2-methyl-N-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118745549
2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 131686661
N-(3-fluoro-2-pyridinyl)-7-(5-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131651435
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131659289
(3R,5R)-N-(4-methoxyphenyl)-9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 98778149
(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
(3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 98818551
N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487879
6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
CID 134075017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (CID 97490595) is 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is Cc1cnc(N2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)nc1.
What is the InChIKey of 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The InChIKey is GRLSRURHOBYJGW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)15(22)20-14-8-17(23-11-14)4-6-21(7-5-17)16-18-9-13(3)10-19-16/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is sourced from PubChem (CID 97490595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).