4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide

C16H22N4O3 — CID 75119592

IUPAC4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide
SMILESCCCC1CC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)CN1
InChIInChI=1S/C16H22N4O3/c1-2-3-13-8-15(22)20(10-18-13)9-14(21)19-12-6-4-11(5-7-12)16(17)23/h4-7,13,18H,2-3,8-10H2,1H3,(H2,17,23)(H,19,21)
InChIKeyIZLZCWLOEGZJNG-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.67
Rot. Bonds6

About 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide

4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide (PubChem CID 75119592) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide
PubChem CID75119592
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide
SMILESCCCC1CC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)CN1
InChIInChI=1S/C16H22N4O3/c1-2-3-13-8-15(22)20(10-18-13)9-14(21)19-12-6-4-11(5-7-12)16(17)23/h4-7,13,18H,2-3,8-10H2,1H3,(H2,17,23)(H,19,21)
InChIKeyIZLZCWLOEGZJNG-UHFFFAOYSA-N
XLogP0.67
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide (CID 75119592) is 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide is CCCC1CC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)CN1.
What is the InChIKey of 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide?
The InChIKey is IZLZCWLOEGZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-3-13-8-15(22)20(10-18-13)9-14(21)19-12-6-4-11(5-7-12)16(17)23/h4-7,13,18H,2-3,8-10H2,1H3,(H2,17,23)(H,19,21).
What are the key properties of 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide?
4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide has a molecular weight of 318.38 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 75119592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).