1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea

C16H24N2O4 — CID 100678238

IUPAC1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea
SMILESCOc1cccc([C@@H](CNC(=O)NC2CCOCC2)OC)c1
InChIInChI=1S/C16H24N2O4/c1-20-14-5-3-4-12(10-14)15(21-2)11-17-16(19)18-13-6-8-22-9-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyHSDMOQXUMUUYGK-OAHLLOKOSA-N
MW308.38 g/mol
LogP1.86
Rot. Bonds6

About 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea

1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea (PubChem CID 100678238) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea
PubChem CID100678238
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea
SMILESCOc1cccc([C@@H](CNC(=O)NC2CCOCC2)OC)c1
InChIInChI=1S/C16H24N2O4/c1-20-14-5-3-4-12(10-14)15(21-2)11-17-16(19)18-13-6-8-22-9-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyHSDMOQXUMUUYGK-OAHLLOKOSA-N
XLogP1.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168551
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023538
1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea
CID 100678158
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(oxan-4-yl)urea
CID 100678473
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623658
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
1-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90623654
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea (CID 100678238) is 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea is COc1cccc([C@@H](CNC(=O)NC2CCOCC2)OC)c1.
What is the InChIKey of 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea?
The InChIKey is HSDMOQXUMUUYGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-14-5-3-4-12(10-14)15(21-2)11-17-16(19)18-13-6-8-22-9-7-13/h3-5,10,13,15H,6-9,11H2,1-2H3,(H2,17,18,19)/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea?
1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea has a molecular weight of 308.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 100678238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).