1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea

C17H28N2O3 — CID 111120840

IUPAC1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCCC(C)C(C)(O)CNC(=O)NCCc1ccccc1OC
InChIInChI=1S/C17H28N2O3/c1-5-13(2)17(3,21)12-19-16(20)18-11-10-14-8-6-7-9-15(14)22-4/h6-9,13,21H,5,10-12H2,1-4H3,(H2,18,19,20)
InChIKeyMIUZCMDHNWDKTI-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.33
Rot. Bonds8

About 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea

1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 111120840) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID111120840
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCCC(C)C(C)(O)CNC(=O)NCCc1ccccc1OC
InChIInChI=1S/C17H28N2O3/c1-5-13(2)17(3,21)12-19-16(20)18-11-10-14-8-6-7-9-15(14)22-4/h6-9,13,21H,5,10-12H2,1-4H3,(H2,18,19,20)
InChIKeyMIUZCMDHNWDKTI-UHFFFAOYSA-N
XLogP2.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111486022
1-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110630022
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106262032
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 110622524
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622652
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea (CID 111120840) is 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea is CCC(C)C(C)(O)CNC(=O)NCCc1ccccc1OC.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is MIUZCMDHNWDKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-13(2)17(3,21)12-19-16(20)18-11-10-14-8-6-7-9-15(14)22-4/h6-9,13,21H,5,10-12H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 308.42 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 111120840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).