1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea

C15H22N2O3 — CID 94198923

IUPAC1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCCOCc1ccccc1NC(=O)NC[C@H]1CCOC1
InChIInChI=1S/C15H22N2O3/c1-2-19-11-13-5-3-4-6-14(13)17-15(18)16-9-12-7-8-20-10-12/h3-6,12H,2,7-11H2,1H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyCOCFERGGCCNWSV-GFCCVEGCSA-N
MW278.35 g/mol
LogP2.38
Rot. Bonds6

About 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea

1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 94198923) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID94198923
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCCOCc1ccccc1NC(=O)NC[C@H]1CCOC1
InChIInChI=1S/C15H22N2O3/c1-2-19-11-13-5-3-4-6-14(13)17-15(18)16-9-12-7-8-20-10-12/h3-6,12H,2,7-11H2,1H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyCOCFERGGCCNWSV-GFCCVEGCSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 125173472
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
1-[2-(ethoxymethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 110902703
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea
CID 47749300
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea (CID 94198923) is 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea is CCOCc1ccccc1NC(=O)NC[C@H]1CCOC1.
What is the InChIKey of 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is COCFERGGCCNWSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-11-13-5-3-4-6-14(13)17-15(18)16-9-12-7-8-20-10-12/h3-6,12H,2,7-11H2,1H3,(H2,16,17,18)/t12-/m1/s1.
What are the key properties of 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 278.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94198923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).