1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea

C16H18N2O3 — CID 110933498

IUPAC1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
SMILESO=C(NOCc1ccccc1)NC(CO)c1ccccc1
InChIInChI=1S/C16H18N2O3/c19-11-15(14-9-5-2-6-10-14)17-16(20)18-21-12-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H2,17,18,20)
InChIKeySDVBJKDUXAHOPT-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.15
Rot. Bonds6

About 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea

1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea (PubChem CID 110933498) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
PubChem CID110933498
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
SMILESO=C(NOCc1ccccc1)NC(CO)c1ccccc1
InChIInChI=1S/C16H18N2O3/c19-11-15(14-9-5-2-6-10-14)17-16(20)18-21-12-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H2,17,18,20)
InChIKeySDVBJKDUXAHOPT-UHFFFAOYSA-N
XLogP2.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190
2,3,4-trihydroxy-N-phenylmethoxybutanamide
CID 130149986
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-methyl-3-phenylmethoxyurea
CID 14227198
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea
CID 60561914
benzyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101336347
(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide
CID 57147661
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 107863811

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea (CID 110933498) is 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea is O=C(NOCc1ccccc1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea?
The InChIKey is SDVBJKDUXAHOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-11-15(14-9-5-2-6-10-14)17-16(20)18-21-12-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H2,17,18,20).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea?
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea has a molecular weight of 286.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea is sourced from PubChem (CID 110933498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).