1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea

C17H24N2O3 — CID 97326887

IUPAC1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea
SMILESCc1ccc(NC(=O)NC2(C)CCC2)cc1O[C@H]1CCOC1
InChIInChI=1S/C17H24N2O3/c1-12-4-5-13(10-15(12)22-14-6-9-21-11-14)18-16(20)19-17(2)7-3-8-17/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyLRTGMGQEEAPEMB-AWEZNQCLSA-N
MW304.39 g/mol
LogP3.23
Rot. Bonds4

About 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea

1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea (PubChem CID 97326887) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea
PubChem CID97326887
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea
SMILESCc1ccc(NC(=O)NC2(C)CCC2)cc1O[C@H]1CCOC1
InChIInChI=1S/C17H24N2O3/c1-12-4-5-13(10-15(12)22-14-6-9-21-11-14)18-16(20)19-17(2)7-3-8-17/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyLRTGMGQEEAPEMB-AWEZNQCLSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea?
The IUPAC name of 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea (CID 97326887) is 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea?
The canonical SMILES for 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea is Cc1ccc(NC(=O)NC2(C)CCC2)cc1O[C@H]1CCOC1.
What is the InChIKey of 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea?
The InChIKey is LRTGMGQEEAPEMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-4-5-13(10-15(12)22-14-6-9-21-11-14)18-16(20)19-17(2)7-3-8-17/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,18,19,20)/t14-/m0/s1.
What are the key properties of 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea?
1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea has a molecular weight of 304.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclobutyl)-3-[4-methyl-3-[(3S)-oxolan-3-yl]oxyphenyl]urea is sourced from PubChem (CID 97326887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).