1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea

C14H20N2O2 — CID 52907191

IUPAC1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea
SMILESC[C@](O)(CNC(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-14(18,12-7-8-12)10-16-13(17)15-9-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyUVSZFXFIPRMIEY-AWEZNQCLSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds5

About 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea

1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea (PubChem CID 52907191) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea
PubChem CID52907191
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea
SMILESC[C@](O)(CNC(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-14(18,12-7-8-12)10-16-13(17)15-9-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyUVSZFXFIPRMIEY-AWEZNQCLSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-((Benzylcarbamoyl)amino)-3-methylbutanoic acid
CID 4328293
1-benzyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 32362858
1-(4-Fluorobenzyl)-3-((1-hydroxycyclopentyl)methyl)urea
CID 49670590
1-(4-Fluorobenzyl)-3-((1-(hydroxymethyl)cyclopropyl)methyl)urea
CID 49670992
N1-(2-cyclopropyl-2-hydroxypropyl)-N2-(4-fluorobenzyl)oxalamide
CID 52992795
1-[Cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71985603
1-[(1R)-1-(hydroxymethyl)propyl]-3-[(1R)-1-phenylethyl]urea
CID 72196939
1-[Cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 84584430
(S)-1-cyclopropyl-3-{3-[(p-fluorophenyl)methyl]ureido}-1-propanol
CID 96350071
1-[(4-fluorophenyl)methyl]-3-[[(1R)-1-hydroxycyclohex-2-en-1-yl]methyl]urea
CID 129563747
1-Benzyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 49670584
1-Benzyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724274

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea?
The IUPAC name of 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea (CID 52907191) is 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea?
The canonical SMILES for 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea is C[C@](O)(CNC(=O)NCc1ccccc1)C1CC1.
What is the InChIKey of 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea?
The InChIKey is UVSZFXFIPRMIEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(18,12-7-8-12)10-16-13(17)15-9-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3,(H2,15,16,17)/t14-/m0/s1.
What are the key properties of 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea?
1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea has a molecular weight of 248.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2R)-2-cyclopropyl-2-hydroxypropyl]urea is sourced from PubChem (CID 52907191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).