1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea

C17H26N2O3 — CID 99851999

IUPAC1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
SMILESCOCc1ccccc1NC(=O)N[C@@H]1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H26N2O3/c1-16(2)10-14(17(3,4)22-16)19-15(20)18-13-9-7-6-8-12(13)11-21-5/h6-9,14H,10-11H2,1-5H3,(H2,18,19,20)/t14-/m1/s1
InChIKeyFLRNBQCTSXOXRI-CQSZACIVSA-N
MW306.41 g/mol
LogP3.30
Rot. Bonds4

About 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea

1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea (PubChem CID 99851999) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
PubChem CID99851999
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
SMILESCOCc1ccccc1NC(=O)N[C@@H]1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H26N2O3/c1-16(2)10-14(17(3,4)22-16)19-15(20)18-13-9-7-6-8-12(13)11-21-5/h6-9,14H,10-11H2,1-5H3,(H2,18,19,20)/t14-/m1/s1
InChIKeyFLRNBQCTSXOXRI-CQSZACIVSA-N
XLogP3.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea (CID 99851999) is 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea is COCc1ccccc1NC(=O)N[C@@H]1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The InChIKey is FLRNBQCTSXOXRI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-16(2)10-14(17(3,4)22-16)19-15(20)18-13-9-7-6-8-12(13)11-21-5/h6-9,14H,10-11H2,1-5H3,(H2,18,19,20)/t14-/m1/s1.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea?
1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea has a molecular weight of 306.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea is sourced from PubChem (CID 99851999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).