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

C18H28N2O3 — CID 111504618

IUPAC1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCCOCc1ccccc1CNC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C18H28N2O3/c1-3-23-12-15-8-5-4-7-14(15)11-19-17(22)20-16-9-6-10-18(16,2)13-21/h4-5,7-8,16,21H,3,6,9-13H2,1-2H3,(H2,19,20,22)
InChIKeyZBCXFFOXYUBYRH-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.57
Rot. Bonds7

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

1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111504618) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111504618
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCCOCc1ccccc1CNC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C18H28N2O3/c1-3-23-12-15-8-5-4-7-14(15)11-19-17(22)20-16-9-6-10-18(16,2)13-21/h4-5,7-8,16,21H,3,6,9-13H2,1-2H3,(H2,19,20,22)
InChIKeyZBCXFFOXYUBYRH-UHFFFAOYSA-N
XLogP2.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(2-phenylcyclopropyl)methyl]urea
CID 111506232
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111486882
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
1-[(4-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504585
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111504256
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111504918
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 55629625

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111504618) is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CCOCc1ccccc1CNC(=O)NC1CCCC1(C)CO.
What is the InChIKey of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is ZBCXFFOXYUBYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-23-12-15-8-5-4-7-14(15)11-19-17(22)20-16-9-6-10-18(16,2)13-21/h4-5,7-8,16,21H,3,6,9-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111504618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).