1-(3-ethyl-2-hydroxypentyl)-3-propylurea

C11H24N2O2 — CID 103657880

IUPAC1-(3-ethyl-2-hydroxypentyl)-3-propylurea
SMILESCCCNC(=O)NCC(O)C(CC)CC
InChIInChI=1S/C11H24N2O2/c1-4-7-12-11(15)13-8-10(14)9(5-2)6-3/h9-10,14H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyYIDNIJKCKNRGSC-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.49
Rot. Bonds7

About 1-(3-ethyl-2-hydroxypentyl)-3-propylurea

1-(3-ethyl-2-hydroxypentyl)-3-propylurea (PubChem CID 103657880) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)-3-propylurea.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)-3-propylurea
PubChem CID103657880
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-(3-ethyl-2-hydroxypentyl)-3-propylurea
SMILESCCCNC(=O)NCC(O)C(CC)CC
InChIInChI=1S/C11H24N2O2/c1-4-7-12-11(15)13-8-10(14)9(5-2)6-3/h9-10,14H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyYIDNIJKCKNRGSC-UHFFFAOYSA-N
XLogP1.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxypropyl)-3-propylurea
CID 12876542
N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
CID 119783564
2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593
N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide
CID 103770596
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
CID 103811142
(2-ethyl-3-hydroxyhexyl)urea
CID 22381162
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168386
1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111115085

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-propylurea?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-propylurea (CID 103657880) is 1-(3-ethyl-2-hydroxypentyl)-3-propylurea.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)-3-propylurea?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)-3-propylurea is CCCNC(=O)NCC(O)C(CC)CC.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)-3-propylurea?
The InChIKey is YIDNIJKCKNRGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-7-12-11(15)13-8-10(14)9(5-2)6-3/h9-10,14H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)-3-propylurea?
1-(3-ethyl-2-hydroxypentyl)-3-propylurea has a molecular weight of 216.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)-3-propylurea is sourced from PubChem (CID 103657880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).