2-[(4-cyanophenyl)methylamino]ethylurea

C11H14N4O — CID 83111146

IUPAC2-[(4-cyanophenyl)methylamino]ethylurea
SMILESN#Cc1ccc(CNCCNC(N)=O)cc1
InChIInChI=1S/C11H14N4O/c12-7-9-1-3-10(4-2-9)8-14-5-6-15-11(13)16/h1-4,14H,5-6,8H2,(H3,13,15,16)
InChIKeyOVGAHYUGLKEMOP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.32
Rot. Bonds5

About 2-[(4-cyanophenyl)methylamino]ethylurea

2-[(4-cyanophenyl)methylamino]ethylurea (PubChem CID 83111146) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylamino]ethylurea
PubChem CID83111146
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[(4-cyanophenyl)methylamino]ethylurea
SMILESN#Cc1ccc(CNCCNC(N)=O)cc1
InChIInChI=1S/C11H14N4O/c12-7-9-1-3-10(4-2-9)8-14-5-6-15-11(13)16/h1-4,14H,5-6,8H2,(H3,13,15,16)
InChIKeyOVGAHYUGLKEMOP-UHFFFAOYSA-N
XLogP0.32
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
4-[[2-(carbamoylamino)ethylamino]methyl]benzoic acid
CID 83109931
N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide
CID 54936182
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
2-[(4-cyanophenyl)methylamino]ethanesulfonamide
CID 43551880
2-[(3,4-dihydroxyphenyl)methylamino]ethylurea
CID 83111530
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
4-[(5-hydroxypentylamino)methyl]benzonitrile
CID 62228646
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylamino]ethylurea?
The IUPAC name of 2-[(4-cyanophenyl)methylamino]ethylurea (CID 83111146) is 2-[(4-cyanophenyl)methylamino]ethylurea.
What is the SMILES notation for 2-[(4-cyanophenyl)methylamino]ethylurea?
The canonical SMILES for 2-[(4-cyanophenyl)methylamino]ethylurea is N#Cc1ccc(CNCCNC(N)=O)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylamino]ethylurea?
The InChIKey is OVGAHYUGLKEMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-7-9-1-3-10(4-2-9)8-14-5-6-15-11(13)16/h1-4,14H,5-6,8H2,(H3,13,15,16).
What are the key properties of 2-[(4-cyanophenyl)methylamino]ethylurea?
2-[(4-cyanophenyl)methylamino]ethylurea has a molecular weight of 218.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylamino]ethylurea is sourced from PubChem (CID 83111146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).