1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea

C11H13N3O2 — CID 43428235

IUPAC1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
SMILESN#Cc1cccc(NC(=O)NCCCO)c1
InChIInChI=1S/C11H13N3O2/c12-8-9-3-1-4-10(7-9)14-11(16)13-5-2-6-15/h1,3-4,7,15H,2,5-6H2,(H2,13,14,16)
InChIKeyJPODKVUMLIJOQA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.06
Rot. Bonds4

About 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea

1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea (PubChem CID 43428235) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
PubChem CID43428235
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
SMILESN#Cc1cccc(NC(=O)NCCCO)c1
InChIInChI=1S/C11H13N3O2/c12-8-9-3-1-4-10(7-9)14-11(16)13-5-2-6-15/h1,3-4,7,15H,2,5-6H2,(H2,13,14,16)
InChIKeyJPODKVUMLIJOQA-UHFFFAOYSA-N
XLogP1.06
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.06
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

1-(3-cyanophenyl)-3-(4-oxopentyl)urea
CID 58032873
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-(3-cyanophenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64531848
1-(3-cyanophenyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 51107741
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-[2-(3-bromophenoxy)ethyl]-3-(3-cyanophenyl)urea
CID 112971253
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217348

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea (CID 43428235) is 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea is N#Cc1cccc(NC(=O)NCCCO)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea?
The InChIKey is JPODKVUMLIJOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-8-9-3-1-4-10(7-9)14-11(16)13-5-2-6-15/h1,3-4,7,15H,2,5-6H2,(H2,13,14,16).
What are the key properties of 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea?
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea has a molecular weight of 219.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 43428235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).