1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea

C14H19N3O — CID 47075715

IUPAC1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea
SMILESCCN(CCC#N)C(=O)NCCc1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-17(12-6-10-15)14(18)16-11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9,11-12H2,1H3,(H,16,18)
InChIKeyVSVCWWUBELZVTK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea

1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea (PubChem CID 47075715) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea
PubChem CID47075715
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea
SMILESCCN(CCC#N)C(=O)NCCc1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-17(12-6-10-15)14(18)16-11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9,11-12H2,1H3,(H,16,18)
InChIKeyVSVCWWUBELZVTK-UHFFFAOYSA-N
XLogP2.17
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,3-tris(2-phenylethyl)urea
CID 123287811
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1,3-diethyl-1-(4-phenylbutyl)urea
CID 138979891
4-[2-[[2-cyanoethyl(methyl)carbamoyl]amino]ethyl]benzoic acid
CID 61183840
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1-[2-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-(2-phenylethyl)urea
CID 175268906
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
3-(cyanomethyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108864796
3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid
CID 63793879
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea (CID 47075715) is 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea is CCN(CCC#N)C(=O)NCCc1ccccc1.
What is the InChIKey of 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea?
The InChIKey is VSVCWWUBELZVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17(12-6-10-15)14(18)16-11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9,11-12H2,1H3,(H,16,18).
What are the key properties of 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea?
1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea has a molecular weight of 245.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 47075715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).