1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea

C21H26N2O3 — CID 97454548

IUPAC1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
SMILESCOCCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-25-15-13-23(16-18-10-7-14-26-18)21(24)22-20-12-6-5-11-19(20)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyWISJBKLHHBPPSO-GOSISDBHSA-N
MW354.45 g/mol
LogP4.01
Rot. Bonds7

About 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea

1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea (PubChem CID 97454548) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
PubChem CID97454548
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
SMILESCOCCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-25-15-13-23(16-18-10-7-14-26-18)21(24)22-20-12-6-5-11-19(20)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyWISJBKLHHBPPSO-GOSISDBHSA-N
XLogP4.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121497075
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125160875
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 125160872
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
1-[[(1R)-cyclohex-2-en-1-yl]methyl]-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 28815482
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 9055359
1-ethyl-3-(2-methylsulfanylphenyl)-1-(oxan-2-ylmethyl)urea
CID 131892608
N-(2-methoxyethyl)-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 46141205
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 100859036

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea (CID 97454548) is 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea is COCCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The InChIKey is WISJBKLHHBPPSO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-15-13-23(16-18-10-7-14-26-18)21(24)22-20-12-6-5-11-19(20)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea has a molecular weight of 354.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 97454548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).