1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea

C19H26N2O4 — CID 124844778

IUPAC1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOC[C@H](NC(=O)NC[C@H](O)c1cc(C)cc(C)c1)c1ccc(C)o1
InChIInChI=1S/C19H26N2O4/c1-12-7-13(2)9-15(8-12)17(22)10-20-19(23)21-16(11-24-4)18-6-5-14(3)25-18/h5-9,16-17,22H,10-11H2,1-4H3,(H2,20,21,23)/t16-,17-/m0/s1
InChIKeyGVLLJQFKJHYNGC-IRXDYDNUSA-N
MW346.43 g/mol
LogP2.93
Rot. Bonds7

About 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea

1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 124844778) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID124844778
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOC[C@H](NC(=O)NC[C@H](O)c1cc(C)cc(C)c1)c1ccc(C)o1
InChIInChI=1S/C19H26N2O4/c1-12-7-13(2)9-15(8-12)17(22)10-20-19(23)21-16(11-24-4)18-6-5-14(3)25-18/h5-9,16-17,22H,10-11H2,1-4H3,(H2,20,21,23)/t16-,17-/m0/s1
InChIKeyGVLLJQFKJHYNGC-IRXDYDNUSA-N
XLogP2.93
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea with MolForge

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Related Compounds

4-[[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122004789
2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 111562734
1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
CID 166220168
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 124731247
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111507646
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94179735
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673694
1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115244
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]-5-nitrobenzoic acid
CID 119185523
[2-(3,5-dimethylphenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105287242

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea (CID 124844778) is 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea is COC[C@H](NC(=O)NC[C@H](O)c1cc(C)cc(C)c1)c1ccc(C)o1.
What is the InChIKey of 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is GVLLJQFKJHYNGC-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12-7-13(2)9-15(8-12)17(22)10-20-19(23)21-16(11-24-4)18-6-5-14(3)25-18/h5-9,16-17,22H,10-11H2,1-4H3,(H2,20,21,23)/t16-,17-/m0/s1.
What are the key properties of 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea?
1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 346.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 124844778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).