1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea

C16H24N2O4 — CID 27734061

IUPAC1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
SMILESCOc1ccccc1NC(=O)NCCCOC[C@H]1CCCO1
InChIInChI=1S/C16H24N2O4/c1-20-15-8-3-2-7-14(15)18-16(19)17-9-5-10-21-12-13-6-4-11-22-13/h2-3,7-8,13H,4-6,9-12H2,1H3,(H2,17,18,19)/t13-/m1/s1
InChIKeySIBKBAUOOCHVSW-CYBMUJFWSA-N
MW308.38 g/mol
LogP2.40
Rot. Bonds8

About 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea

1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea (PubChem CID 27734061) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
PubChem CID27734061
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
SMILESCOc1ccccc1NC(=O)NCCCOC[C@H]1CCCO1
InChIInChI=1S/C16H24N2O4/c1-20-15-8-3-2-7-14(15)18-16(19)17-9-5-10-21-12-13-6-4-11-22-13/h2-3,7-8,13H,4-6,9-12H2,1H3,(H2,17,18,19)/t13-/m1/s1
InChIKeySIBKBAUOOCHVSW-CYBMUJFWSA-N
XLogP2.40
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111216136

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea (CID 27734061) is 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea is COc1ccccc1NC(=O)NCCCOC[C@H]1CCCO1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea?
The InChIKey is SIBKBAUOOCHVSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-15-8-3-2-7-14(15)18-16(19)17-9-5-10-21-12-13-6-4-11-22-13/h2-3,7-8,13H,4-6,9-12H2,1H3,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea?
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea has a molecular weight of 308.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea is sourced from PubChem (CID 27734061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).