3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea

C19H22N2O4 — CID 94652128

IUPAC3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCC(=O)c1cccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1
InChIInChI=1S/C19H22N2O4/c1-14(22)15-5-2-6-16(11-15)20-19(23)21(12-17-7-3-9-24-17)13-18-8-4-10-25-18/h2-3,5-7,9,11,18H,4,8,10,12-13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyFIXVIPGYIYPPFC-GOSISDBHSA-N
MW342.40 g/mol
LogP3.70
Rot. Bonds6

About 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea

3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 94652128) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID94652128
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCC(=O)c1cccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1
InChIInChI=1S/C19H22N2O4/c1-14(22)15-5-2-6-16(11-15)20-19(23)21(12-17-7-3-9-24-17)13-18-8-4-10-25-18/h2-3,5-7,9,11,18H,4,8,10,12-13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyFIXVIPGYIYPPFC-GOSISDBHSA-N
XLogP3.70
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 60577582
3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1058655
1-(furan-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60577323
3-(3-acetylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 125164540
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4059297
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
1-(furan-2-ylmethyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94651994
3-(3-chloro-2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577089

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 94652128) is 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea is CC(=O)c1cccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is FIXVIPGYIYPPFC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(22)15-5-2-6-16(11-15)20-19(23)21(12-17-7-3-9-24-17)13-18-8-4-10-25-18/h2-3,5-7,9,11,18H,4,8,10,12-13H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 342.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94652128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).