N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide

C17H26N4O2 — CID 97488566

IUPACN-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)NC(=O)C[C@H]1COC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C17H26N4O2/c1-13(2)20-15(22)10-14-11-17(23-12-14)4-8-21(9-5-17)16-18-6-3-7-19-16/h3,6-7,13-14H,4-5,8-12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeySORSWZPVFVXECK-CQSZACIVSA-N
MW318.42 g/mol
LogP1.77
Rot. Bonds4

About N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide

N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide (PubChem CID 97488566) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
PubChem CID97488566
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
SMILESCC(C)NC(=O)C[C@H]1COC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C17H26N4O2/c1-13(2)20-15(22)10-14-11-17(23-12-14)4-8-21(9-5-17)16-18-6-3-7-19-16/h3,6-7,13-14H,4-5,8-12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeySORSWZPVFVXECK-CQSZACIVSA-N
XLogP1.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 97366895
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CID 97367013
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CID 97367120
CID 97367120
CID 97367125
CID 97367125
CID 97388455
CID 97388455
CID 97388459
CID 97388459
CID 98810469
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CID 118738936
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CID 118739200
CID 118739200

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide (CID 97488566) is N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide is CC(C)NC(=O)C[C@H]1COC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is SORSWZPVFVXECK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)20-15(22)10-14-11-17(23-12-14)4-8-21(9-5-17)16-18-6-3-7-19-16/h3,6-7,13-14H,4-5,8-12H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(3S)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 97488566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).