1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

C20H27N3O3 — CID 86987253

IUPAC1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCCc1cccc(NC(=O)NCC(c2ccc(C)o2)N2CCOCC2)c1
InChIInChI=1S/C20H27N3O3/c1-3-16-5-4-6-17(13-16)22-20(24)21-14-18(19-8-7-15(2)26-19)23-9-11-25-12-10-23/h4-8,13,18H,3,9-12,14H2,1-2H3,(H2,21,22,24)
InChIKeyBOPZZKPTDSIUNK-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.35
Rot. Bonds6

About 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (PubChem CID 86987253) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
PubChem CID86987253
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCCc1cccc(NC(=O)NCC(c2ccc(C)o2)N2CCOCC2)c1
InChIInChI=1S/C20H27N3O3/c1-3-16-5-4-6-17(13-16)22-20(24)21-14-18(19-8-7-15(2)26-19)23-9-11-25-12-10-23/h4-8,13,18H,3,9-12,14H2,1-2H3,(H2,21,22,24)
InChIKeyBOPZZKPTDSIUNK-UHFFFAOYSA-N
XLogP3.35
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30089001
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-sulfamoylphenyl)urea
CID 55684084
1-(4-fluorophenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30037330
1-(3-ethynylphenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95733924
1-[4-(difluoromethoxy)phenyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987370
1-(1,3-benzothiazol-6-yl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97435153
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylurea
CID 51083980
1-(5-fluoro-2-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86986971
1-(2-fluoro-4-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987160
1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 78879846
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (CID 86987253) is 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is CCc1cccc(NC(=O)NCC(c2ccc(C)o2)N2CCOCC2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The InChIKey is BOPZZKPTDSIUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-16-5-4-6-17(13-16)22-20(24)21-14-18(19-8-7-15(2)26-19)23-9-11-25-12-10-23/h4-8,13,18H,3,9-12,14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea has a molecular weight of 357.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 86987253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).