3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea

C19H28N2O2 — CID 111722268

IUPAC3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C19H28N2O2/c1-3-21(12-17(22)14-6-4-13(2)5-7-14)19(23)20-18(15-8-9-15)16-10-11-16/h4-7,15-18,22H,3,8-12H2,1-2H3,(H,20,23)
InChIKeyMYMFUONDYDHMKM-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.25
Rot. Bonds7

About 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea

3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 111722268) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID111722268
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C19H28N2O2/c1-3-21(12-17(22)14-6-4-13(2)5-7-14)19(23)20-18(15-8-9-15)16-10-11-16/h4-7,15-18,22H,3,8-12H2,1-2H3,(H,20,23)
InChIKeyMYMFUONDYDHMKM-UHFFFAOYSA-N
XLogP3.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 111722268) is 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is CCN(CC(O)c1ccc(C)cc1)C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is MYMFUONDYDHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-21(12-17(22)14-6-4-13(2)5-7-14)19(23)20-18(15-8-9-15)16-10-11-16/h4-7,15-18,22H,3,8-12H2,1-2H3,(H,20,23).
What are the key properties of 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea has a molecular weight of 316.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 111722268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).