1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea

C22H27N3O5 — CID 146147610

IUPAC1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea
SMILESCOCC(NC(=O)Nc1ccc(Oc2ccccc2)cc1C)C(=O)N1CCOCC1
InChIInChI=1S/C22H27N3O5/c1-16-14-18(30-17-6-4-3-5-7-17)8-9-19(16)23-22(27)24-20(15-28-2)21(26)25-10-12-29-13-11-25/h3-9,14,20H,10-13,15H2,1-2H3,(H2,23,24,27)
InChIKeyDXKARFPNQJLWMD-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.78
Rot. Bonds7

About 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea

1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea (PubChem CID 146147610) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea
PubChem CID146147610
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea
SMILESCOCC(NC(=O)Nc1ccc(Oc2ccccc2)cc1C)C(=O)N1CCOCC1
InChIInChI=1S/C22H27N3O5/c1-16-14-18(30-17-6-4-3-5-7-17)8-9-19(16)23-22(27)24-20(15-28-2)21(26)25-10-12-29-13-11-25/h3-9,14,20H,10-13,15H2,1-2H3,(H2,23,24,27)
InChIKeyDXKARFPNQJLWMD-UHFFFAOYSA-N
XLogP2.78
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea with MolForge

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Related Compounds

N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4240193
N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 3046004
1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886318
1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
CID 97436919
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 118782826
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea?
The IUPAC name of 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea (CID 146147610) is 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea.
What is the SMILES notation for 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea?
The canonical SMILES for 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea is COCC(NC(=O)Nc1ccc(Oc2ccccc2)cc1C)C(=O)N1CCOCC1.
What is the InChIKey of 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea?
The InChIKey is DXKARFPNQJLWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-16-14-18(30-17-6-4-3-5-7-17)8-9-19(16)23-22(27)24-20(15-28-2)21(26)25-10-12-29-13-11-25/h3-9,14,20H,10-13,15H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea?
1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea has a molecular weight of 413.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea is sourced from PubChem (CID 146147610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).