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

C15H22N2O2 — CID 111505588

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
SMILESCCCC1CC1NC(=O)NCc1ccccc1CO
InChIInChI=1S/C15H22N2O2/c1-2-5-11-8-14(11)17-15(19)16-9-12-6-3-4-7-13(12)10-18/h3-4,6-7,11,14,18H,2,5,8-10H2,1H3,(H2,16,17,19)
InChIKeyKHCJKQJMUWBXOX-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.17
Rot. Bonds6

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

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea (PubChem CID 111505588) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
PubChem CID111505588
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
SMILESCCCC1CC1NC(=O)NCc1ccccc1CO
InChIInChI=1S/C15H22N2O2/c1-2-5-11-8-14(11)17-15(19)16-9-12-6-3-4-7-13(12)10-18/h3-4,6-7,11,14,18H,2,5,8-10H2,1H3,(H2,16,17,19)
InChIKeyKHCJKQJMUWBXOX-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111435093
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432
1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840872
1-(3-ethylsulfinylcyclohexyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840874
1-[[(2-propylcyclopropyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114111546
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976786
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[(3-hydroxythiolan-3-yl)methyl]-3-(2-propylcyclopropyl)urea
CID 111619082
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-(2-propylcyclopropyl)-1H-indazole-3-carboxamide
CID 113246079
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924420

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea (CID 111505588) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea is CCCC1CC1NC(=O)NCc1ccccc1CO.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea?
The InChIKey is KHCJKQJMUWBXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-5-11-8-14(11)17-15(19)16-9-12-6-3-4-7-13(12)10-18/h3-4,6-7,11,14,18H,2,5,8-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea has a molecular weight of 262.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea is sourced from PubChem (CID 111505588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).