N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide

C17H25NO3 — CID 154666024

IUPACN-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide
SMILESO=C(CCOCCc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C17H25NO3/c19-16-8-6-15(7-9-16)18-17(20)11-13-21-12-10-14-4-2-1-3-5-14/h1-5,15-16,19H,6-13H2,(H,18,20)
InChIKeyHPUCRGFYZRRXPO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.06
Rot. Bonds7

About N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide

N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide (PubChem CID 154666024) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide
PubChem CID154666024
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide
SMILESO=C(CCOCCc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C17H25NO3/c19-16-8-6-15(7-9-16)18-17(20)11-13-21-12-10-14-4-2-1-3-5-14/h1-5,15-16,19H,6-13H2,(H,18,20)
InChIKeyHPUCRGFYZRRXPO-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide (CID 154666024) is N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide is O=C(CCOCCc1ccccc1)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide?
The InChIKey is HPUCRGFYZRRXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16-8-6-15(7-9-16)18-17(20)11-13-21-12-10-14-4-2-1-3-5-14/h1-5,15-16,19H,6-13H2,(H,18,20).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide?
N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(2-phenylethoxy)propanamide is sourced from PubChem (CID 154666024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).