1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea

C20H24N2O3 — CID 84597411

IUPAC1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea
SMILESCOc1ccccc1-c1cccc(NC(=O)NC2(C)CCOCC2)c1
InChIInChI=1S/C20H24N2O3/c1-20(10-12-25-13-11-20)22-19(23)21-16-7-5-6-15(14-16)17-8-3-4-9-18(17)24-2/h3-9,14H,10-13H2,1-2H3,(H2,21,22,23)
InChIKeyKJMGIYJGCQVRKT-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.05
Rot. Bonds4

About 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea

1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea (PubChem CID 84597411) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea
PubChem CID84597411
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea
SMILESCOc1ccccc1-c1cccc(NC(=O)NC2(C)CCOCC2)c1
InChIInChI=1S/C20H24N2O3/c1-20(10-12-25-13-11-20)22-19(23)21-16-7-5-6-15(14-16)17-8-3-4-9-18(17)24-2/h3-9,14H,10-13H2,1-2H3,(H2,21,22,23)
InChIKeyKJMGIYJGCQVRKT-UHFFFAOYSA-N
XLogP4.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea
CID 111117104
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
N-[3-(2-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 119281226
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129459310
4-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
CID 110088909
4-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]oxane-4-carboxamide
CID 124964866
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861
(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 97341846

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea?
The IUPAC name of 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea (CID 84597411) is 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea?
The canonical SMILES for 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea is COc1ccccc1-c1cccc(NC(=O)NC2(C)CCOCC2)c1.
What is the InChIKey of 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea?
The InChIKey is KJMGIYJGCQVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(10-12-25-13-11-20)22-19(23)21-16-7-5-6-15(14-16)17-8-3-4-9-18(17)24-2/h3-9,14H,10-13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea?
1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea has a molecular weight of 340.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea is sourced from PubChem (CID 84597411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).