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

C22H29N3O4 — CID 1002238

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H29N3O4/c1-27-20-8-9-21(28-2)18(16-20)17-25(11-10-24-12-14-29-15-13-24)22(26)23-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyRVQBYMYROOSRSX-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.07
Rot. Bonds8

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

1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea (PubChem CID 1002238) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea
PubChem CID1002238
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H29N3O4/c1-27-20-8-9-21(28-2)18(16-20)17-25(11-10-24-12-14-29-15-13-24)22(26)23-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyRVQBYMYROOSRSX-UHFFFAOYSA-N
XLogP3.07
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea (CID 1002238) is 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea is COc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea?
The InChIKey is RVQBYMYROOSRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-20-8-9-21(28-2)18(16-20)17-25(11-10-24-12-14-29-15-13-24)22(26)23-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea?
1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea has a molecular weight of 399.49 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea is sourced from PubChem (CID 1002238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).