1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea

C19H31N3O2 — CID 110012908

IUPAC1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea
SMILESCN(C)CC(C)(O)CNC(=O)NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-19(24,14-22(2)3)13-20-18(23)21-17(12-15-8-7-9-15)16-10-5-4-6-11-16/h4-6,10-11,15,17,24H,7-9,12-14H2,1-3H3,(H2,20,21,23)
InChIKeyVJOUYXRQPHAULH-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.53
Rot. Bonds8

About 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea

1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea (PubChem CID 110012908) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea
PubChem CID110012908
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea
SMILESCN(C)CC(C)(O)CNC(=O)NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-19(24,14-22(2)3)13-20-18(23)21-17(12-15-8-7-9-15)16-10-5-4-6-11-16/h4-6,10-11,15,17,24H,7-9,12-14H2,1-3H3,(H2,20,21,23)
InChIKeyVJOUYXRQPHAULH-UHFFFAOYSA-N
XLogP2.53
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea?
The IUPAC name of 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea (CID 110012908) is 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea.
What is the SMILES notation for 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea?
The canonical SMILES for 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea is CN(C)CC(C)(O)CNC(=O)NC(CC1CCC1)c1ccccc1.
What is the InChIKey of 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea?
The InChIKey is VJOUYXRQPHAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(24,14-22(2)3)13-20-18(23)21-17(12-15-8-7-9-15)16-10-5-4-6-11-16/h4-6,10-11,15,17,24H,7-9,12-14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea?
1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea is sourced from PubChem (CID 110012908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).