1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea

C14H17N3O — CID 116654007

IUPAC1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
SMILESN#CCCN(C(=O)NC1CCC1)c1ccccc1
InChIInChI=1S/C14H17N3O/c15-10-5-11-17(13-8-2-1-3-9-13)14(18)16-12-6-4-7-12/h1-3,8-9,12H,4-7,11H2,(H,16,18)
InChIKeyZTEGMDLRDCUFMR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.67
Rot. Bonds4

About 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea

1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea (PubChem CID 116654007) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
PubChem CID116654007
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
SMILESN#CCCN(C(=O)NC1CCC1)c1ccccc1
InChIInChI=1S/C14H17N3O/c15-10-5-11-17(13-8-2-1-3-9-13)14(18)16-12-6-4-7-12/h1-3,8-9,12H,4-7,11H2,(H,16,18)
InChIKeyZTEGMDLRDCUFMR-UHFFFAOYSA-N
XLogP2.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
CID 61402703
N'-(2-cyanoethyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]-N'-phenylbutanediamide
CID 56515980
2-[[2-cyanoethyl(phenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61193258
N'-(2-cyanoethyl)-N'-phenyl-N-(1-propylsulfonylpiperidin-4-yl)butanediamide
CID 56505559
1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea
CID 20787233

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea?
The IUPAC name of 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea (CID 116654007) is 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea?
The canonical SMILES for 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea is N#CCCN(C(=O)NC1CCC1)c1ccccc1.
What is the InChIKey of 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea?
The InChIKey is ZTEGMDLRDCUFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-5-11-17(13-8-2-1-3-9-13)14(18)16-12-6-4-7-12/h1-3,8-9,12H,4-7,11H2,(H,16,18).
What are the key properties of 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea?
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea has a molecular weight of 243.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea is sourced from PubChem (CID 116654007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).