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

C17H20N2O3 — CID 110937017

IUPAC1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
SMILESO=C(NCC(O)Cc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-16(11-14-7-3-1-4-8-14)12-18-17(21)19-22-13-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,18,19,21)
InChIKeyFMSBXNWLPVEEDJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.02
Rot. Bonds7

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

1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea (PubChem CID 110937017) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
PubChem CID110937017
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
SMILESO=C(NCC(O)Cc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-16(11-14-7-3-1-4-8-14)12-18-17(21)19-22-13-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,18,19,21)
InChIKeyFMSBXNWLPVEEDJ-UHFFFAOYSA-N
XLogP2.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.02
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

1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-methyl-3-phenylmethoxyurea
CID 14227198
1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937061
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023942
2,3,4-trihydroxy-N-phenylmethoxybutanamide
CID 130149986
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
CID 110933498
1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765329
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea?
The IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea (CID 110937017) is 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea.
What is the SMILES notation for 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea?
The canonical SMILES for 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea is O=C(NCC(O)Cc1ccccc1)NOCc1ccccc1.
What is the InChIKey of 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea?
The InChIKey is FMSBXNWLPVEEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-16(11-14-7-3-1-4-8-14)12-18-17(21)19-22-13-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,18,19,21).
What are the key properties of 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea?
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea has a molecular weight of 300.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea is sourced from PubChem (CID 110937017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).