2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide

C15H24N4O4 — CID 97467767

IUPAC2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide
SMILESCOCCN1CCCn2c(nc(CNC(=O)COC)cc2=O)C1
InChIInChI=1S/C15H24N4O4/c1-22-7-6-18-4-3-5-19-13(10-18)17-12(8-15(19)21)9-16-14(20)11-23-2/h8H,3-7,9-11H2,1-2H3,(H,16,20)
InChIKeyFSPLWUGHOJMNGC-UHFFFAOYSA-N
MW324.38 g/mol
LogP-0.64
Rot. Bonds7

About 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide

2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide (PubChem CID 97467767) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide
PubChem CID97467767
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide
SMILESCOCCN1CCCn2c(nc(CNC(=O)COC)cc2=O)C1
InChIInChI=1S/C15H24N4O4/c1-22-7-6-18-4-3-5-19-13(10-18)17-12(8-15(19)21)9-16-14(20)11-23-2/h8H,3-7,9-11H2,1-2H3,(H,16,20)
InChIKeyFSPLWUGHOJMNGC-UHFFFAOYSA-N
XLogP-0.64
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide (CID 97467767) is 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide is COCCN1CCCn2c(nc(CNC(=O)COC)cc2=O)C1.
What is the InChIKey of 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide?
The InChIKey is FSPLWUGHOJMNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-22-7-6-18-4-3-5-19-13(10-18)17-12(8-15(19)21)9-16-14(20)11-23-2/h8H,3-7,9-11H2,1-2H3,(H,16,20).
What are the key properties of 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide?
2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of -0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[9-(2-methoxyethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide is sourced from PubChem (CID 97467767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).