1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea

C14H22N2O3 — CID 90598262

IUPAC1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
SMILESCOc1ccccc1C(CNC(=O)NC(C)C)OC
InChIInChI=1S/C14H22N2O3/c1-10(2)16-14(17)15-9-13(19-4)11-7-5-6-8-12(11)18-3/h5-8,10,13H,9H2,1-4H3,(H2,15,16,17)
InChIKeyFNFRLRVLJMZKFM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.09
Rot. Bonds6

About 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea

1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea (PubChem CID 90598262) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
PubChem CID90598262
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
SMILESCOc1ccccc1C(CNC(=O)NC(C)C)OC
InChIInChI=1S/C14H22N2O3/c1-10(2)16-14(17)15-9-13(19-4)11-7-5-6-8-12(11)18-3/h5-8,10,13H,9H2,1-4H3,(H2,15,16,17)
InChIKeyFNFRLRVLJMZKFM-UHFFFAOYSA-N
XLogP2.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 129373912
1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598283
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 90597977
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90597971
2-methoxy-2-(2-methoxyphenyl)-N-methylethanamine
CID 53276193
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90598039

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea (CID 90598262) is 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea is COc1ccccc1C(CNC(=O)NC(C)C)OC.
What is the InChIKey of 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea?
The InChIKey is FNFRLRVLJMZKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-14(17)15-9-13(19-4)11-7-5-6-8-12(11)18-3/h5-8,10,13H,9H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea?
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea has a molecular weight of 266.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 90598262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).