3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea

C22H28N2O3 — CID 125160872

IUPAC3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
SMILESCOc1ccc(-c2ccccc2NC(=O)N(C)CCC[C@H]2CCCO2)cc1
InChIInChI=1S/C22H28N2O3/c1-24(15-5-7-19-8-6-16-27-19)22(25)23-21-10-4-3-9-20(21)17-11-13-18(26-2)14-12-17/h3-4,9-14,19H,5-8,15-16H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyCWAALTZJQCPGSE-IBGZPJMESA-N
MW368.48 g/mol
LogP4.79
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea

3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea (PubChem CID 125160872) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
PubChem CID125160872
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
SMILESCOc1ccc(-c2ccccc2NC(=O)N(C)CCC[C@H]2CCCO2)cc1
InChIInChI=1S/C22H28N2O3/c1-24(15-5-7-19-8-6-16-27-19)22(25)23-21-10-4-3-9-20(21)17-11-13-18(26-2)14-12-17/h3-4,9-14,19H,5-8,15-16H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyCWAALTZJQCPGSE-IBGZPJMESA-N
XLogP4.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125160875
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
1-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126423852
1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97454548
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125154893
1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea
CID 97436331
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125161769
1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea
CID 118793915
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea?
The IUPAC name of 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea (CID 125160872) is 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea is COc1ccc(-c2ccccc2NC(=O)N(C)CCC[C@H]2CCCO2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea?
The InChIKey is CWAALTZJQCPGSE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O3/c1-24(15-5-7-19-8-6-16-27-19)22(25)23-21-10-4-3-9-20(21)17-11-13-18(26-2)14-12-17/h3-4,9-14,19H,5-8,15-16H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea?
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea has a molecular weight of 368.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 125160872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).