1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea

C17H26N2O3 — CID 71868141

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea
SMILESCOC1CCCCC1NC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-22-16-10-6-5-9-15(16)19-17(21)18-14(11-12-20)13-7-3-2-4-8-13/h2-4,7-8,14-16,20H,5-6,9-12H2,1H3,(H2,18,19,21)/t14-,15?,16?/m1/s1
InChIKeyXDGLBQLOJXIXDE-QQFBHYJXSA-N
MW306.41 g/mol
LogP2.37
Rot. Bonds6

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea (PubChem CID 71868141) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea
PubChem CID71868141
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea
SMILESCOC1CCCCC1NC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-22-16-10-6-5-9-15(16)19-17(21)18-14(11-12-20)13-7-3-2-4-8-13/h2-4,7-8,14-16,20H,5-6,9-12H2,1H3,(H2,18,19,21)/t14-,15?,16?/m1/s1
InChIKeyXDGLBQLOJXIXDE-QQFBHYJXSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea (CID 71868141) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea is COC1CCCCC1NC(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea?
The InChIKey is XDGLBQLOJXIXDE-QQFBHYJXSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-22-16-10-6-5-9-15(16)19-17(21)18-14(11-12-20)13-7-3-2-4-8-13/h2-4,7-8,14-16,20H,5-6,9-12H2,1H3,(H2,18,19,21)/t14-,15?,16?/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methoxycyclohexyl)urea is sourced from PubChem (CID 71868141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).