1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea

C16H26N2O3 — CID 110308848

IUPAC1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
SMILESCOc1ccc(C(O)CN(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-12(2)9-10-17-16(20)18(3)11-15(19)13-5-7-14(21-4)8-6-13/h5-8,12,15,19H,9-11H2,1-4H3,(H,17,20)
InChIKeyGXNGLASIALRTKB-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.42
Rot. Bonds7

About 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea (PubChem CID 110308848) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
PubChem CID110308848
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
SMILESCOc1ccc(C(O)CN(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-12(2)9-10-17-16(20)18(3)11-15(19)13-5-7-14(21-4)8-6-13/h5-8,12,15,19H,9-11H2,1-4H3,(H,17,20)
InChIKeyGXNGLASIALRTKB-UHFFFAOYSA-N
XLogP2.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110307112
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
CID 110313652
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
2,4-dichloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110291126
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea (CID 110308848) is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea is COc1ccc(C(O)CN(C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea?
The InChIKey is GXNGLASIALRTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)9-10-17-16(20)18(3)11-15(19)13-5-7-14(21-4)8-6-13/h5-8,12,15,19H,9-11H2,1-4H3,(H,17,20).
What are the key properties of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea?
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea is sourced from PubChem (CID 110308848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).