1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea

C20H24N2O2 — CID 86881053

IUPAC1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea
SMILESCCN(C(=O)NC(C)c1ccccc1Oc1ccccc1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-3-22(16-13-14-16)20(23)21-15(2)18-11-7-8-12-19(18)24-17-9-5-4-6-10-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyOAZOQEJLAFSJSA-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.73
Rot. Bonds6

About 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea

1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea (PubChem CID 86881053) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea
PubChem CID86881053
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea
SMILESCCN(C(=O)NC(C)c1ccccc1Oc1ccccc1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-3-22(16-13-14-16)20(23)21-15(2)18-11-7-8-12-19(18)24-17-9-5-4-6-10-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyOAZOQEJLAFSJSA-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea
CID 119074169
4-[[ethyl-[1-(2-phenoxyphenyl)ethylcarbamoyl]amino]methyl]-N,N-dimethylbenzamide
CID 86887696
(2R)-5-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95324386
N'-[1-(2-phenoxyphenyl)ethyl]-N-phenyloxamide
CID 86878935
2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride
CID 120791363
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800
3-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
CID 70653331
1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 49472541
4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid
CID 61195062
6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 95906203
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100710395

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea (CID 86881053) is 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea is CCN(C(=O)NC(C)c1ccccc1Oc1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea?
The InChIKey is OAZOQEJLAFSJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-22(16-13-14-16)20(23)21-15(2)18-11-7-8-12-19(18)24-17-9-5-4-6-10-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,21,23).
What are the key properties of 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea?
1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea has a molecular weight of 324.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea is sourced from PubChem (CID 86881053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).