3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea

C22H28ClN3O4 — CID 1002240

IUPAC3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C22H28ClN3O4/c1-28-20-6-7-21(29-2)17(14-20)16-26(9-8-25-10-12-30-13-11-25)22(27)24-19-5-3-4-18(23)15-19/h3-7,14-15H,8-13,16H2,1-2H3,(H,24,27)
InChIKeyBOJVMEJHNBMPCB-UHFFFAOYSA-N
MW433.94 g/mol
LogP3.72
Rot. Bonds8

About 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea

3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 1002240) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID1002240
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C22H28ClN3O4/c1-28-20-6-7-21(29-2)17(14-20)16-26(9-8-25-10-12-30-13-11-25)22(27)24-19-5-3-4-18(23)15-19/h3-7,14-15H,8-13,16H2,1-2H3,(H,24,27)
InChIKeyBOJVMEJHNBMPCB-UHFFFAOYSA-N
XLogP3.72
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea (CID 1002240) is 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea is COc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is BOJVMEJHNBMPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4/c1-28-20-6-7-21(29-2)17(14-20)16-26(9-8-25-10-12-30-13-11-25)22(27)24-19-5-3-4-18(23)15-19/h3-7,14-15H,8-13,16H2,1-2H3,(H,24,27).
What are the key properties of 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 433.94 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 1002240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).