N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide

C25H25N3O3 — CID 42849025

IUPACN-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1
InChIInChI=1S/C25H25N3O3/c1-31-23-10-5-9-20(17-23)24(29)26-21-11-13-22(14-12-21)28-16-6-15-27(25(28)30)18-19-7-3-2-4-8-19/h2-5,7-14,17H,6,15-16,18H2,1H3,(H,26,29)
InChIKeyIKUPLOFPRYLWRI-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.78
Rot. Bonds6

About N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide

N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 42849025) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
PubChem CID42849025
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1
InChIInChI=1S/C25H25N3O3/c1-31-23-10-5-9-20(17-23)24(29)26-21-11-13-22(14-12-21)28-16-6-15-27(25(28)30)18-19-7-3-2-4-8-19/h2-5,7-14,17H,6,15-16,18H2,1H3,(H,26,29)
InChIKeyIKUPLOFPRYLWRI-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-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46156673
N-[4-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methoxybenzamide
CID 46040877
3-methoxy-N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868692
1-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 46070693
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999
3-methoxy-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666844
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
CID 46156722
N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46040810
2,6-difluoro-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069597
N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-cyanobenzamide
CID 46069500
N-[4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-cyanobenzamide
CID 42868978

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide (CID 42849025) is N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1.
What is the InChIKey of N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is IKUPLOFPRYLWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-31-23-10-5-9-20(17-23)24(29)26-21-11-13-22(14-12-21)28-16-6-15-27(25(28)30)18-19-7-3-2-4-8-19/h2-5,7-14,17H,6,15-16,18H2,1H3,(H,26,29).
What are the key properties of N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide?
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide 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-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 42849025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).