N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide

C25H25N3O3 — CID 46156673

IUPACN-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
SMILESCOc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4)cc3)C2=O)c1
InChIInChI=1S/C25H25N3O3/c1-31-23-10-5-7-19(17-23)18-27-15-6-16-28(25(27)30)22-13-11-21(12-14-22)26-24(29)20-8-3-2-4-9-20/h2-5,7-14,17H,6,15-16,18H2,1H3,(H,26,29)
InChIKeyPOVQALOXEQPRJZ-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.78
Rot. Bonds6

About N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide

N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (PubChem CID 46156673) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
PubChem CID46156673
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
SMILESCOc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4)cc3)C2=O)c1
InChIInChI=1S/C25H25N3O3/c1-31-23-10-5-7-19(17-23)18-27-15-6-16-28(25(27)30)22-13-11-21(12-14-22)26-24(29)20-8-3-2-4-9-20/h2-5,7-14,17H,6,15-16,18H2,1H3,(H,26,29)
InChIKeyPOVQALOXEQPRJZ-UHFFFAOYSA-N
XLogP4.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
CID 42849025
N-[4-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methoxybenzamide
CID 46040877
1-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 46070693
1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
CID 46156722
3-methoxy-N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868692
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46040810
N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814002
3-methoxy-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666844
4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50813814
N-[4-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42849086

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?
The IUPAC name of N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (CID 46156673) is N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is COc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4)cc3)C2=O)c1.
What is the InChIKey of N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?
The InChIKey is POVQALOXEQPRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-31-23-10-5-7-19(17-23)18-27-15-6-16-28(25(27)30)22-13-11-21(12-14-22)26-24(29)20-8-3-2-4-9-20/h2-5,7-14,17H,6,15-16,18H2,1H3,(H,26,29).
What are the key properties of N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?
N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is sourced from PubChem (CID 46156673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).