1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea

C24H30F2N2O4 — CID 55818929

IUPAC1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
SMILESCCC(NC(=O)Nc1cccc(COCC2CCCCO2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C24H30F2N2O4/c1-2-21(20-11-3-4-12-22(20)32-23(25)26)28-24(29)27-18-9-7-8-17(14-18)15-30-16-19-10-5-6-13-31-19/h3-4,7-9,11-12,14,19,21,23H,2,5-6,10,13,15-16H2,1H3,(H2,27,28,29)
InChIKeyJMSHLSQDAVCDAG-UHFFFAOYSA-N
MW448.51 g/mol
LogP5.65
Rot. Bonds10

About 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea

1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea (PubChem CID 55818929) has the molecular formula C24H30F2N2O4 and a molecular weight of 448.51 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
PubChem CID55818929
Molecular FormulaC24H30F2N2O4
Molecular Weight448.51 g/mol
Exact Mass448.22
IUPAC Name1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
SMILESCCC(NC(=O)Nc1cccc(COCC2CCCCO2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C24H30F2N2O4/c1-2-21(20-11-3-4-12-22(20)32-23(25)26)28-24(29)27-18-9-7-8-17(14-18)15-30-16-19-10-5-6-13-31-19/h3-4,7-9,11-12,14,19,21,23H,2,5-6,10,13,15-16H2,1H3,(H2,27,28,29)
InChIKeyJMSHLSQDAVCDAG-UHFFFAOYSA-N
XLogP5.65
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.51
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea with MolForge

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Related Compounds

N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
CID 95760194
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 102556165
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
CID 55820598
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide
CID 124855855
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55807172

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea?
The IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea (CID 55818929) is 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea?
The canonical SMILES for 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea is CCC(NC(=O)Nc1cccc(COCC2CCCCO2)c1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea?
The InChIKey is JMSHLSQDAVCDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O4/c1-2-21(20-11-3-4-12-22(20)32-23(25)26)28-24(29)27-18-9-7-8-17(14-18)15-30-16-19-10-5-6-13-31-19/h3-4,7-9,11-12,14,19,21,23H,2,5-6,10,13,15-16H2,1H3,(H2,27,28,29).
What are the key properties of 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea?
1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea has a molecular weight of 448.51 g/mol, XLogP of 5.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea is sourced from PubChem (CID 55818929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).