1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea

C18H20N2O4 — CID 139434078

IUPAC1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea
SMILESCNC(=O)Nc1ccc(Oc2ccccc2)c(OC2CCOC2)c1
InChIInChI=1S/C18H20N2O4/c1-19-18(21)20-13-7-8-16(23-14-5-3-2-4-6-14)17(11-13)24-15-9-10-22-12-15/h2-8,11,15H,9-10,12H2,1H3,(H2,19,20,21)
InChIKeyZNOXLQVFWGMEPJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.40
Rot. Bonds5

About 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea

1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea (PubChem CID 139434078) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea
PubChem CID139434078
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea
SMILESCNC(=O)Nc1ccc(Oc2ccccc2)c(OC2CCOC2)c1
InChIInChI=1S/C18H20N2O4/c1-19-18(21)20-13-7-8-16(23-14-5-3-2-4-6-14)17(11-13)24-15-9-10-22-12-15/h2-8,11,15H,9-10,12H2,1H3,(H2,19,20,21)
InChIKeyZNOXLQVFWGMEPJ-UHFFFAOYSA-N
XLogP3.40
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
1-cyclopent-3-en-1-yl-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea
CID 97225820
1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea
CID 97326887
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
1-[3-(difluoromethylsulfonyl)phenyl]-3-[2-[(3S)-oxolan-3-yl]oxyphenyl]urea
CID 96542049
1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea
CID 138004617
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
2-amino-N-[4-(oxolan-3-yloxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120593039

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea?
The IUPAC name of 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea (CID 139434078) is 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea.
What is the SMILES notation for 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea?
The canonical SMILES for 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea is CNC(=O)Nc1ccc(Oc2ccccc2)c(OC2CCOC2)c1.
What is the InChIKey of 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea?
The InChIKey is ZNOXLQVFWGMEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-19-18(21)20-13-7-8-16(23-14-5-3-2-4-6-14)17(11-13)24-15-9-10-22-12-15/h2-8,11,15H,9-10,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea?
1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea has a molecular weight of 328.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(oxolan-3-yloxy)-4-phenoxyphenyl]urea is sourced from PubChem (CID 139434078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).