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

C21H26N4O3 — CID 46156722

IUPAC1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(N2CCCN(Cc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-3-22-20(26)23-17-8-10-18(11-9-17)25-13-5-12-24(21(25)27)15-16-6-4-7-19(14-16)28-2/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H2,22,23,26)
InChIKeyQQGOCKNCXNHKGP-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.67
Rot. Bonds6

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

1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea (PubChem CID 46156722) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
PubChem CID46156722
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(N2CCCN(Cc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-3-22-20(26)23-17-8-10-18(11-9-17)25-13-5-12-24(21(25)27)15-16-6-4-7-19(14-16)28-2/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H2,22,23,26)
InChIKeyQQGOCKNCXNHKGP-UHFFFAOYSA-N
XLogP3.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 46070693
N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46156673
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
4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50813814
1-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-ethylurea
CID 42869050
2-(4-fluorophenyl)-N-[3-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069971
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999
2,6-difluoro-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069597
3-methoxy-N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868692
2-(3-methoxyphenyl)-N-[3-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]acetamide
CID 46070023
1-(3-chlorophenyl)-3-[3-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
CID 46041024

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea (CID 46156722) is 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea is CCNC(=O)Nc1ccc(N2CCCN(Cc3cccc(OC)c3)C2=O)cc1.
What is the InChIKey of 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea?
The InChIKey is QQGOCKNCXNHKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-22-20(26)23-17-8-10-18(11-9-17)25-13-5-12-24(21(25)27)15-16-6-4-7-19(14-16)28-2/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea?
1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea has a molecular weight of 382.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea is sourced from PubChem (CID 46156722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).