3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea

C22H28N2O3 — CID 125169984

IUPAC3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
SMILESCCCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C22H28N2O3/c1-3-13-24(16-19-10-7-14-27-19)22(25)23-18-9-6-8-17(15-18)20-11-4-5-12-21(20)26-2/h4-6,8-9,11-12,15,19H,3,7,10,13-14,16H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyYHLURKHBUXWPQK-LJQANCHMSA-N
MW368.48 g/mol
LogP4.79
Rot. Bonds7

About 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea

3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea (PubChem CID 125169984) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
PubChem CID125169984
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
SMILESCCCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C22H28N2O3/c1-3-13-24(16-19-10-7-14-27-19)22(25)23-18-9-6-8-17(15-18)20-11-4-5-12-21(20)26-2/h4-6,8-9,11-12,15,19H,3,7,10,13-14,16H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyYHLURKHBUXWPQK-LJQANCHMSA-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

methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
1-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60501793
3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97454548
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258983
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95258982
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
3-(3-acetylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 125164540
1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
CID 125160536
2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771751
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 126429384
5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 126450011

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea?
The IUPAC name of 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea (CID 125169984) is 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea?
The canonical SMILES for 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea is CCCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2ccccc2OC)c1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea?
The InChIKey is YHLURKHBUXWPQK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-13-24(16-19-10-7-14-27-19)22(25)23-18-9-6-8-17(15-18)20-11-4-5-12-21(20)26-2/h4-6,8-9,11-12,15,19H,3,7,10,13-14,16H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of 3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea?
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea 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-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea is sourced from PubChem (CID 125169984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).