N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide

C17H23N5O4 — CID 118593134

IUPACN-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCC12CN(Cc1ncccn1)C2=O)C(C)O
InChIInChI=1S/C17H23N5O4/c1-11(23)14(20-12(2)24)15(25)22-8-3-5-17(22)10-21(16(17)26)9-13-18-6-4-7-19-13/h4,6-7,11,14,23H,3,5,8-10H2,1-2H3,(H,20,24)
InChIKeyMHFQOEGJVBJHRJ-UHFFFAOYSA-N
MW361.40 g/mol
LogP-0.93
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide

N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide (PubChem CID 118593134) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide
PubChem CID118593134
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC NameN-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCC12CN(Cc1ncccn1)C2=O)C(C)O
InChIInChI=1S/C17H23N5O4/c1-11(23)14(20-12(2)24)15(25)22-8-3-5-17(22)10-21(16(17)26)9-13-18-6-4-7-19-13/h4,6-7,11,14,23H,3,5,8-10H2,1-2H3,(H,20,24)
InChIKeyMHFQOEGJVBJHRJ-UHFFFAOYSA-N
XLogP-0.93
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide (CID 118593134) is N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCCC12CN(Cc1ncccn1)C2=O)C(C)O.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide?
The InChIKey is MHFQOEGJVBJHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-11(23)14(20-12(2)24)15(25)22-8-3-5-17(22)10-21(16(17)26)9-13-18-6-4-7-19-13/h4,6-7,11,14,23H,3,5,8-10H2,1-2H3,(H,20,24).
What are the key properties of N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide?
N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide has a molecular weight of 361.40 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide is sourced from PubChem (CID 118593134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).