1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea

C18H22N2O3 — CID 110924335

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccccc1CNC(=O)NCc1ccccc1CO
InChIInChI=1S/C18H22N2O3/c1-23-13-17-9-5-3-7-15(17)11-20-18(22)19-10-14-6-2-4-8-16(14)12-21/h2-9,21H,10-13H2,1H3,(H2,19,20,22)
InChIKeyAVMJCSDVGCEXQU-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.32
Rot. Bonds7

About 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea (PubChem CID 110924335) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
PubChem CID110924335
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccccc1CNC(=O)NCc1ccccc1CO
InChIInChI=1S/C18H22N2O3/c1-23-13-17-9-5-3-7-15(17)11-20-18(22)19-10-14-6-2-4-8-16(14)12-21/h2-9,21H,10-13H2,1H3,(H2,19,20,22)
InChIKeyAVMJCSDVGCEXQU-UHFFFAOYSA-N
XLogP2.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110910121
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454390
2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
CID 79346129
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
3-[[2-(methoxymethyl)phenyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837104
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea
CID 33389163
N-[[2-(methoxymethyl)phenyl]methyl]but-2-enamide
CID 112725954

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea (CID 110924335) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea is COCc1ccccc1CNC(=O)NCc1ccccc1CO.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is AVMJCSDVGCEXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-13-17-9-5-3-7-15(17)11-20-18(22)19-10-14-6-2-4-8-16(14)12-21/h2-9,21H,10-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 314.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110924335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).