1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

C20H25N3O3 — CID 94516313

IUPAC1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C20H25N3O3/c1-25-19-8-4-7-18(13-19)22-20(24)21-14-16-5-2-3-6-17(16)15-23-9-11-26-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,24)
InChIKeyPOFVYSASLZVHSQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.85
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 94516313) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID94516313
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C20H25N3O3/c1-25-19-8-4-7-18(13-19)22-20(24)21-14-16-5-2-3-6-17(16)15-23-9-11-26-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,24)
InChIKeyPOFVYSASLZVHSQ-UHFFFAOYSA-N
XLogP2.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 24626912
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966881
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
1-(4-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 8599945
1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 113235126
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
CID 36524900
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
(2S)-2-(2-methoxyphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 95706646
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 94516313) is 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is COc1cccc(NC(=O)NCc2ccccc2CN2CCOCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is POFVYSASLZVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-19-8-4-7-18(13-19)22-20(24)21-14-16-5-2-3-6-17(16)15-23-9-11-26-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 355.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 94516313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).