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

C15H22N2O2 — CID 111840872

IUPAC1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCCC1(CNC(=O)NCc2ccccc2CO)CC1
InChIInChI=1S/C15H22N2O2/c1-2-15(7-8-15)11-17-14(19)16-9-12-5-3-4-6-13(12)10-18/h3-6,18H,2,7-11H2,1H3,(H2,16,17,19)
InChIKeyWJJOYSHAJFNKFE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.17
Rot. Bonds6

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

1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 111840872) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID111840872
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCCC1(CNC(=O)NCc2ccccc2CO)CC1
InChIInChI=1S/C15H22N2O2/c1-2-15(7-8-15)11-17-14(19)16-9-12-5-3-4-6-13(12)10-18/h3-6,18H,2,7-11H2,1H3,(H2,16,17,19)
InChIKeyWJJOYSHAJFNKFE-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-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924420
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
CID 111505588
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 109398549
1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911654
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
1-[(1-ethylcyclobutyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 109470625

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 111840872) is 1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is CCC1(CNC(=O)NCc2ccccc2CO)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is WJJOYSHAJFNKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-15(7-8-15)11-17-14(19)16-9-12-5-3-4-6-13(12)10-18/h3-6,18H,2,7-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]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-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 111840872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).