methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate

C23H24Cl2N2O5 — CID 20601286

IUPACmethyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate
SMILESCOC(=O)CC1CN(Cc2ccc(Cl)cc2Cl)C(=O)N(Cc2ccccc2C(=O)OC)C1
InChIInChI=1S/C23H24Cl2N2O5/c1-31-21(28)9-15-11-26(13-16-5-3-4-6-19(16)22(29)32-2)23(30)27(12-15)14-17-7-8-18(24)10-20(17)25/h3-8,10,15H,9,11-14H2,1-2H3
InChIKeyVCZBFUJDNCSNJA-UHFFFAOYSA-N
MW479.36 g/mol
LogP4.40
Rot. Bonds7

About methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate

methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate (PubChem CID 20601286) has the molecular formula C23H24Cl2N2O5 and a molecular weight of 479.36 g/mol. Its IUPAC name is methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate
PubChem CID20601286
Molecular FormulaC23H24Cl2N2O5
Molecular Weight479.36 g/mol
Exact Mass478.11
IUPAC Namemethyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate
SMILESCOC(=O)CC1CN(Cc2ccc(Cl)cc2Cl)C(=O)N(Cc2ccccc2C(=O)OC)C1
InChIInChI=1S/C23H24Cl2N2O5/c1-31-21(28)9-15-11-26(13-16-5-3-4-6-19(16)22(29)32-2)23(30)27(12-15)14-17-7-8-18(24)10-20(17)25/h3-8,10,15H,9,11-14H2,1-2H3
InChIKeyVCZBFUJDNCSNJA-UHFFFAOYSA-N
XLogP4.40
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate with MolForge

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Related Compounds

2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinan-5-yl]acetic acid
CID 20601103
2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3-[[2-[(2-phenoxyphenyl)carbamoyl]phenyl]methyl]-1,3-diazinan-5-yl]acetic acid
CID 18768583
2-[1-[[2-[benzyl-[2-(dimethylamino)ethyl]carbamoyl]phenyl]methyl]-3-[(2,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-5-yl]acetic acid
CID 20601180
2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3-[[2-(4-phenylbutylcarbamoyl)phenyl]methyl]-1,3-diazinan-5-yl]acetic acid
CID 18768622
2-[1-[(2,4-dichlorophenyl)methyl]-3-(2-ethoxyethyl)-2-oxo-1,3-diazinan-5-yl]acetic acid
CID 18768623
2-[1-(4-bromophenyl)-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-5-yl]acetic acid;methyl 2-[1-(4-bromophenyl)-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-5-yl]acetate
CID 158768720
methyl 2-[[4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 141094208
2-[1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-5-yl]acetic acid
CID 18768502
methyl 2-[(4-ethyl-2,5-dioxopiperazin-1-yl)methyl]benzoate
CID 82954357
S-[[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667765
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
methyl 2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 82969909

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate (CID 20601286) is methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate is COC(=O)CC1CN(Cc2ccc(Cl)cc2Cl)C(=O)N(Cc2ccccc2C(=O)OC)C1.
What is the InChIKey of methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate?
The InChIKey is VCZBFUJDNCSNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O5/c1-31-21(28)9-15-11-26(13-16-5-3-4-6-19(16)22(29)32-2)23(30)27(12-15)14-17-7-8-18(24)10-20(17)25/h3-8,10,15H,9,11-14H2,1-2H3.
What are the key properties of methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate?
methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate has a molecular weight of 479.36 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2,4-dichlorophenyl)methyl]-5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzoate is sourced from PubChem (CID 20601286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).