N-cyclohexyl-2-hydroxy-4-phenylbutanamide

C16H23NO2 — CID 54048905

IUPACN-cyclohexyl-2-hydroxy-4-phenylbutanamide
SMILESO=C(NC1CCCCC1)C(O)CCc1ccccc1
InChIInChI=1S/C16H23NO2/c18-15(12-11-13-7-3-1-4-8-13)16(19)17-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H,17,19)
InChIKeyLRMOUEMBWJBSQB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.43
Rot. Bonds5

About N-cyclohexyl-2-hydroxy-4-phenylbutanamide

N-cyclohexyl-2-hydroxy-4-phenylbutanamide (PubChem CID 54048905) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-4-phenylbutanamide
PubChem CID54048905
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-cyclohexyl-2-hydroxy-4-phenylbutanamide
SMILESO=C(NC1CCCCC1)C(O)CCc1ccccc1
InChIInChI=1S/C16H23NO2/c18-15(12-11-13-7-3-1-4-8-13)16(19)17-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H,17,19)
InChIKeyLRMOUEMBWJBSQB-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-4-phenylbutanamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-4-phenylbutanamide (CID 54048905) is N-cyclohexyl-2-hydroxy-4-phenylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-4-phenylbutanamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-4-phenylbutanamide is O=C(NC1CCCCC1)C(O)CCc1ccccc1.
What is the InChIKey of N-cyclohexyl-2-hydroxy-4-phenylbutanamide?
The InChIKey is LRMOUEMBWJBSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-15(12-11-13-7-3-1-4-8-13)16(19)17-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H,17,19).
What are the key properties of N-cyclohexyl-2-hydroxy-4-phenylbutanamide?
N-cyclohexyl-2-hydroxy-4-phenylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 54048905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).