N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide

C24H33NO3 — CID 134131592

IUPACN-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide
SMILESCCCC(C)COc1ccc([C@H](CO)NC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C24H33NO3/c1-3-8-19(2)18-28-22-15-13-21(14-16-22)23(17-26)25-24(27)12-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-16,19,23,26H,3,7-8,11-12,17-18H2,1-2H3,(H,25,27)/t19?,23-/m0/s1
InChIKeyAMNGROWXMQOIIG-BVHINDKJSA-N
MW383.53 g/mol
LogP4.67
Rot. Bonds12

About N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide

N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide (PubChem CID 134131592) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide
PubChem CID134131592
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide
SMILESCCCC(C)COc1ccc([C@H](CO)NC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C24H33NO3/c1-3-8-19(2)18-28-22-15-13-21(14-16-22)23(17-26)25-24(27)12-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-16,19,23,26H,3,7-8,11-12,17-18H2,1-2H3,(H,25,27)/t19?,23-/m0/s1
InChIKeyAMNGROWXMQOIIG-BVHINDKJSA-N
XLogP4.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide (CID 134131592) is N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide is CCCC(C)COc1ccc([C@H](CO)NC(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide?
The InChIKey is AMNGROWXMQOIIG-BVHINDKJSA-N. The full InChI is InChI=1S/C24H33NO3/c1-3-8-19(2)18-28-22-15-13-21(14-16-22)23(17-26)25-24(27)12-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-16,19,23,26H,3,7-8,11-12,17-18H2,1-2H3,(H,25,27)/t19?,23-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide?
N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide has a molecular weight of 383.53 g/mol, XLogP of 4.67, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-4-phenylbutanamide is sourced from PubChem (CID 134131592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).