1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea

C16H26N2O3 — CID 111115085

IUPAC1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCCC(CC)C(O)CNC(=O)NCc1ccccc1OC
InChIInChI=1S/C16H26N2O3/c1-4-12(5-2)14(19)11-18-16(20)17-10-13-8-6-7-9-15(13)21-3/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H2,17,18,20)
InChIKeyWIJOFMMSQWPTAK-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.29
Rot. Bonds8

About 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea

1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 111115085) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID111115085
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCCC(CC)C(O)CNC(=O)NCc1ccccc1OC
InChIInChI=1S/C16H26N2O3/c1-4-12(5-2)14(19)11-18-16(20)17-10-13-8-6-7-9-15(13)21-3/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H2,17,18,20)
InChIKeyWIJOFMMSQWPTAK-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111119483
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338222
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea (CID 111115085) is 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea is CCC(CC)C(O)CNC(=O)NCc1ccccc1OC.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is WIJOFMMSQWPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-12(5-2)14(19)11-18-16(20)17-10-13-8-6-7-9-15(13)21-3/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea?
1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 111115085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).