1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea

C22H29N3O3 — CID 119046042

IUPAC1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea
SMILESCCCOc1ccc(CNC(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C22H29N3O3/c1-3-11-28-21-8-7-18(17(2)14-21)16-23-22(26)24-19-5-4-6-20(15-19)25-9-12-27-13-10-25/h4-8,14-15H,3,9-13,16H2,1-2H3,(H2,23,24,26)
InChIKeyDZSOKGNYYLPYIY-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.94
Rot. Bonds7

About 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea

1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea (PubChem CID 119046042) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea
PubChem CID119046042
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea
SMILESCCCOc1ccc(CNC(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C22H29N3O3/c1-3-11-28-21-8-7-18(17(2)14-21)16-23-22(26)24-19-5-4-6-20(15-19)25-9-12-27-13-10-25/h4-8,14-15H,3,9-13,16H2,1-2H3,(H2,23,24,26)
InChIKeyDZSOKGNYYLPYIY-UHFFFAOYSA-N
XLogP3.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-4-propoxyphenyl)methyl]-3-[(4R)-oxepan-4-yl]urea
CID 99833443
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837498
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966881
1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea
CID 94437016
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87044150

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea (CID 119046042) is 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea is CCCOc1ccc(CNC(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1.
What is the InChIKey of 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea?
The InChIKey is DZSOKGNYYLPYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-11-28-21-8-7-18(17(2)14-21)16-23-22(26)24-19-5-4-6-20(15-19)25-9-12-27-13-10-25/h4-8,14-15H,3,9-13,16H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea?
1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea has a molecular weight of 383.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 119046042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).