1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea

C17H26N2O3 — CID 125444168

IUPAC1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea
SMILESO=C(NC[C@@H](c1ccccc1)C1CCCC1)NC(CO)CO
InChIInChI=1S/C17H26N2O3/c20-11-15(12-21)19-17(22)18-10-16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,14-16,20-21H,4-5,8-12H2,(H2,18,19,22)/t16-/m0/s1
InChIKeyZMFJGEHUHLZBFF-INIZCTEOSA-N
MW306.41 g/mol
LogP1.61
Rot. Bonds7

About 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea

1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea (PubChem CID 125444168) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea
PubChem CID125444168
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea
SMILESO=C(NC[C@@H](c1ccccc1)C1CCCC1)NC(CO)CO
InChIInChI=1S/C17H26N2O3/c20-11-15(12-21)19-17(22)18-10-16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,14-16,20-21H,4-5,8-12H2,(H2,18,19,22)/t16-/m0/s1
InChIKeyZMFJGEHUHLZBFF-INIZCTEOSA-N
XLogP1.61
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111104225
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
N-[(2S)-2-cyclopentyl-2-phenylethyl]-2-pyridin-3-ylacetamide
CID 95213041
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 110012926
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571
N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide
CID 125437167
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea?
The IUPAC name of 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea (CID 125444168) is 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea?
The canonical SMILES for 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea is O=C(NC[C@@H](c1ccccc1)C1CCCC1)NC(CO)CO.
What is the InChIKey of 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea?
The InChIKey is ZMFJGEHUHLZBFF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-11-15(12-21)19-17(22)18-10-16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-7,14-16,20-21H,4-5,8-12H2,(H2,18,19,22)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea?
1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea has a molecular weight of 306.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea is sourced from PubChem (CID 125444168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).