1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea

C20H24N2O3 — CID 97042727

IUPAC1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1
InChIInChI=1S/C20H24N2O3/c23-19(21-12-13-25-18-8-2-1-3-9-18)22-15-20(24)11-10-16-6-4-5-7-17(16)14-20/h1-9,24H,10-15H2,(H2,21,22,23)/t20-/m1/s1
InChIKeyDJJLAGSKDAZNKQ-HXUWFJFHSA-N
MW340.42 g/mol
LogP2.28
Rot. Bonds6

About 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea

1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea (PubChem CID 97042727) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea
PubChem CID97042727
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1
InChIInChI=1S/C20H24N2O3/c23-19(21-12-13-25-18-8-2-1-3-9-18)22-15-20(24)11-10-16-6-4-5-7-17(16)14-20/h1-9,24H,10-15H2,(H2,21,22,23)/t20-/m1/s1
InChIKeyDJJLAGSKDAZNKQ-HXUWFJFHSA-N
XLogP2.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea (CID 97042727) is 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea is O=C(NCCOc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1.
What is the InChIKey of 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea?
The InChIKey is DJJLAGSKDAZNKQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(21-12-13-25-18-8-2-1-3-9-18)22-15-20(24)11-10-16-6-4-5-7-17(16)14-20/h1-9,24H,10-15H2,(H2,21,22,23)/t20-/m1/s1.
What are the key properties of 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea?
1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea has a molecular weight of 340.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 97042727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).