N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide

C22H27N3O2 — CID 75119564

IUPACN-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide
SMILESCCCC1CC(=O)N(CC(=O)N(Cc2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C22H27N3O2/c1-2-9-19-14-21(26)24(17-23-19)16-22(27)25(20-12-7-4-8-13-20)15-18-10-5-3-6-11-18/h3-8,10-13,19,23H,2,9,14-17H2,1H3
InChIKeyNRYKCAHKVXOZAR-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.17
Rot. Bonds7

About N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide

N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide (PubChem CID 75119564) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide
PubChem CID75119564
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide
SMILESCCCC1CC(=O)N(CC(=O)N(Cc2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C22H27N3O2/c1-2-9-19-14-21(26)24(17-23-19)16-22(27)25(20-12-7-4-8-13-20)15-18-10-5-3-6-11-18/h3-8,10-13,19,23H,2,9,14-17H2,1H3
InChIKeyNRYKCAHKVXOZAR-UHFFFAOYSA-N
XLogP3.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide (CID 75119564) is N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide is CCCC1CC(=O)N(CC(=O)N(Cc2ccccc2)c2ccccc2)CN1.
What is the InChIKey of N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide?
The InChIKey is NRYKCAHKVXOZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-9-19-14-21(26)24(17-23-19)16-22(27)25(20-12-7-4-8-13-20)15-18-10-5-3-6-11-18/h3-8,10-13,19,23H,2,9,14-17H2,1H3.
What are the key properties of N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide?
N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide is sourced from PubChem (CID 75119564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).