1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea

C18H22N2O3 — CID 110904579

IUPAC1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
SMILESCc1cccc(OCC(O)CNC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-14-6-5-9-17(10-14)23-13-16(21)12-20-18(22)19-11-15-7-3-2-4-8-15/h2-10,16,21H,11-13H2,1H3,(H2,19,20,22)
InChIKeyONHIAEKGLUTXSP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.23
Rot. Bonds7

About 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea

1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea (PubChem CID 110904579) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
PubChem CID110904579
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
SMILESCc1cccc(OCC(O)CNC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-14-6-5-9-17(10-14)23-13-16(21)12-20-18(22)19-11-15-7-3-2-4-8-15/h2-10,16,21H,11-13H2,1H3,(H2,19,20,22)
InChIKeyONHIAEKGLUTXSP-UHFFFAOYSA-N
XLogP2.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
tert-butyl N-[(2S)-1-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 95280819
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The IUPAC name of 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea (CID 110904579) is 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The canonical SMILES for 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea is Cc1cccc(OCC(O)CNC(=O)NCc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The InChIKey is ONHIAEKGLUTXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-6-5-9-17(10-14)23-13-16(21)12-20-18(22)19-11-15-7-3-2-4-8-15/h2-10,16,21H,11-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea is sourced from PubChem (CID 110904579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).