1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea

C18H24N2O3 — CID 95190317

IUPAC1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
SMILESCOCC[C@H](C)NC(=O)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O3/c1-13(9-10-23-2)20-18(22)19-12-17(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21H,9-10,12H2,1-2H3,(H2,19,20,22)/t13-,17-/m0/s1
InChIKeyXFMOBRAXGDHDCW-GUYCJALGSA-N
MW316.40 g/mol
LogP2.60
Rot. Bonds7

About 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea

1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea (PubChem CID 95190317) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
PubChem CID95190317
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
SMILESCOCC[C@H](C)NC(=O)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O3/c1-13(9-10-23-2)20-18(22)19-12-17(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21H,9-10,12H2,1-2H3,(H2,19,20,22)/t13-,17-/m0/s1
InChIKeyXFMOBRAXGDHDCW-GUYCJALGSA-N
XLogP2.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
CID 125470025
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea (CID 95190317) is 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea is COCC[C@H](C)NC(=O)NC[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea?
The InChIKey is XFMOBRAXGDHDCW-GUYCJALGSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(9-10-23-2)20-18(22)19-12-17(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21H,9-10,12H2,1-2H3,(H2,19,20,22)/t13-,17-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea?
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea has a molecular weight of 316.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea is sourced from PubChem (CID 95190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).