1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea

C20H25N3O2 — CID 60586672

IUPAC1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
SMILESCC1CN(Cc2cccc(CNC(=O)Nc3ccccc3)c2)CCO1
InChIInChI=1S/C20H25N3O2/c1-16-14-23(10-11-25-16)15-18-7-5-6-17(12-18)13-21-20(24)22-19-8-3-2-4-9-19/h2-9,12,16H,10-11,13-15H2,1H3,(H2,21,22,24)
InChIKeyUBIYGCVPAUCKAL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.23
Rot. Bonds5

About 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea

1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea (PubChem CID 60586672) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
PubChem CID60586672
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
SMILESCC1CN(Cc2cccc(CNC(=O)Nc3ccccc3)c2)CCO1
InChIInChI=1S/C20H25N3O2/c1-16-14-23(10-11-25-16)15-18-7-5-6-17(12-18)13-21-20(24)22-19-8-3-2-4-9-19/h2-9,12,16H,10-11,13-15H2,1H3,(H2,21,22,24)
InChIKeyUBIYGCVPAUCKAL-UHFFFAOYSA-N
XLogP3.23
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[4-(tetrazol-1-yl)phenyl]urea
CID 95347485
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea
CID 47749300
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 52509866
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
CID 110605020
3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119864258
(3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 52503367
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446
4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea (CID 60586672) is 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea is CC1CN(Cc2cccc(CNC(=O)Nc3ccccc3)c2)CCO1.
What is the InChIKey of 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea?
The InChIKey is UBIYGCVPAUCKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-14-23(10-11-25-16)15-18-7-5-6-17(12-18)13-21-20(24)22-19-8-3-2-4-9-19/h2-9,12,16H,10-11,13-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea?
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea has a molecular weight of 339.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea is sourced from PubChem (CID 60586672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).