3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea

C19H24ClN3O3 — CID 118783105

IUPAC3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCCN(Cc1ccc(C)o1)C(=O)Nc1cc(N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H24ClN3O3/c1-3-22(13-16-6-4-14(2)26-16)19(24)21-18-12-15(5-7-17(18)20)23-8-10-25-11-9-23/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,24)
InChIKeyGUPGSULNUHZMGZ-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.13
Rot. Bonds5

About 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea

3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 118783105) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID118783105
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCCN(Cc1ccc(C)o1)C(=O)Nc1cc(N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H24ClN3O3/c1-3-22(13-16-6-4-14(2)26-16)19(24)21-18-12-15(5-7-17(18)20)23-8-10-25-11-9-23/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,24)
InChIKeyGUPGSULNUHZMGZ-UHFFFAOYSA-N
XLogP4.13
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea (CID 118783105) is 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea is CCN(Cc1ccc(C)o1)C(=O)Nc1cc(N2CCOCC2)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is GUPGSULNUHZMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-3-22(13-16-6-4-14(2)26-16)19(24)21-18-12-15(5-7-17(18)20)23-8-10-25-11-9-23/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,24).
What are the key properties of 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea?
3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 377.87 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-morpholin-4-ylphenyl)-1-ethyl-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 118783105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).