1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea

C14H17N3O2 — CID 94414975

IUPAC1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
SMILESN#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H17N3O2/c15-9-10-4-3-5-11(8-10)16-14(19)17-12-6-1-2-7-13(12)18/h3-5,8,12-13,18H,1-2,6-7H2,(H2,16,17,19)/t12-,13-/m1/s1
InChIKeyZCJLDWSXRXOGCQ-CHWSQXEVSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds2

About 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea

1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea (PubChem CID 94414975) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
PubChem CID94414975
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
SMILESN#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H17N3O2/c15-9-10-4-3-5-11(8-10)16-14(19)17-12-6-1-2-7-13(12)18/h3-5,8,12-13,18H,1-2,6-7H2,(H2,16,17,19)/t12-,13-/m1/s1
InChIKeyZCJLDWSXRXOGCQ-CHWSQXEVSA-N
XLogP1.98
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea
CID 95760446
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973
1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933001
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxycyclohexyl)urea
CID 111475536
2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075796
1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea
CID 106737757
(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767
3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide
CID 154843025
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea (CID 94414975) is 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea is N#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea?
The InChIKey is ZCJLDWSXRXOGCQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-9-10-4-3-5-11(8-10)16-14(19)17-12-6-1-2-7-13(12)18/h3-5,8,12-13,18H,1-2,6-7H2,(H2,16,17,19)/t12-,13-/m1/s1.
What are the key properties of 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea?
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea has a molecular weight of 259.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea is sourced from PubChem (CID 94414975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).