1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea

C14H20N2O5 — CID 131911929

IUPAC1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea
SMILESCOc1ccc(NC(=O)N[C@H]2COC[C@@H]2OC)cc1OC
InChIInChI=1S/C14H20N2O5/c1-18-11-5-4-9(6-12(11)19-2)15-14(17)16-10-7-21-8-13(10)20-3/h4-6,10,13H,7-8H2,1-3H3,(H2,15,16,17)/t10-,13-/m0/s1
InChIKeyJHRGMUOKZCGEEK-GWCFXTLKSA-N
MW296.32 g/mol
LogP1.24
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea

1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea (PubChem CID 131911929) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea
PubChem CID131911929
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea
SMILESCOc1ccc(NC(=O)N[C@H]2COC[C@@H]2OC)cc1OC
InChIInChI=1S/C14H20N2O5/c1-18-11-5-4-9(6-12(11)19-2)15-14(17)16-10-7-21-8-13(10)20-3/h4-6,10,13H,7-8H2,1-3H3,(H2,15,16,17)/t10-,13-/m0/s1
InChIKeyJHRGMUOKZCGEEK-GWCFXTLKSA-N
XLogP1.24
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea
CID 118778137
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239543
1-(3,4-dimethoxyphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 52592483
1-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3,4-dimethoxyphenyl)urea
CID 155509748
4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dimethoxyphenyl)urea
CID 108876008
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266787
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 7552537

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea (CID 131911929) is 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea is COc1ccc(NC(=O)N[C@H]2COC[C@@H]2OC)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea?
The InChIKey is JHRGMUOKZCGEEK-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-18-11-5-4-9(6-12(11)19-2)15-14(17)16-10-7-21-8-13(10)20-3/h4-6,10,13H,7-8H2,1-3H3,(H2,15,16,17)/t10-,13-/m0/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea?
1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea has a molecular weight of 296.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea is sourced from PubChem (CID 131911929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).