1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea

C14H17N3O2 — CID 114750430

IUPAC1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
SMILESN#Cc1cccc(NC(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C14H17N3O2/c15-9-11-2-1-3-12(8-11)17-13(19)16-10-14(4-5-14)6-7-18/h1-3,8,18H,4-7,10H2,(H2,16,17,19)
InChIKeyURRRIRJCUHRRDY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.84
Rot. Bonds5

About 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea

1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea (PubChem CID 114750430) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
PubChem CID114750430
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
SMILESN#Cc1cccc(NC(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C14H17N3O2/c15-9-11-2-1-3-12(8-11)17-13(19)16-10-14(4-5-14)6-7-18/h1-3,8,18H,4-7,10H2,(H2,16,17,19)
InChIKeyURRRIRJCUHRRDY-UHFFFAOYSA-N
XLogP1.84
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
CID 43428235
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
CID 113214561
3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114749959
1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214747
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
1-(3-cyanophenyl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea
CID 47070336
1-(3-cyanophenyl)-3-(4-oxopentyl)urea
CID 58032873

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea (CID 114750430) is 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea is N#Cc1cccc(NC(=O)NCC2(CCO)CC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea?
The InChIKey is URRRIRJCUHRRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-9-11-2-1-3-12(8-11)17-13(19)16-10-14(4-5-14)6-7-18/h1-3,8,18H,4-7,10H2,(H2,16,17,19).
What are the key properties of 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea?
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea has a molecular weight of 259.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 114750430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).