3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide

C18H26FN3O3 — CID 18162061

IUPAC3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCCOc1ccccc1F
InChIInChI=1S/C18H26FN3O3/c19-15-8-4-5-9-16(15)25-13-12-20-17(23)10-11-21-18(24)22-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13H2,(H,20,23)(H2,21,22,24)
InChIKeyJDOXNIFIMZJJGV-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.34
Rot. Bonds8

About 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide (PubChem CID 18162061) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
PubChem CID18162061
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCCOc1ccccc1F
InChIInChI=1S/C18H26FN3O3/c19-15-8-4-5-9-16(15)25-13-12-20-17(23)10-11-21-18(24)22-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13H2,(H,20,23)(H2,21,22,24)
InChIKeyJDOXNIFIMZJJGV-UHFFFAOYSA-N
XLogP2.34
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.34
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

3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
CID 131921415
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
CID 70796637
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide (CID 18162061) is 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide is O=C(CCNC(=O)NC1CCCCC1)NCCOc1ccccc1F.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The InChIKey is JDOXNIFIMZJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c19-15-8-4-5-9-16(15)25-13-12-20-17(23)10-11-21-18(24)22-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13H2,(H,20,23)(H2,21,22,24).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide has a molecular weight of 351.42 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 18162061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).