N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide

C25H43NO3 — CID 10971504

IUPACN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(29)26-23(21-27)20-24(28)22-17-14-13-15-18-22/h13-15,17-18,23-24,27-28H,2-12,16,19-21H2,1H3,(H,26,29)/t23-,24-/m1/s1
InChIKeyLFNPKXLKUQCCJV-DNQXCXABSA-N
MW405.62 g/mol
LogP5.68
Rot. Bonds18

About N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide

N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide (PubChem CID 10971504) has the molecular formula C25H43NO3 and a molecular weight of 405.62 g/mol. Its IUPAC name is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
PubChem CID10971504
Molecular FormulaC25H43NO3
Molecular Weight405.62 g/mol
Exact Mass405.32
IUPAC NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(29)26-23(21-27)20-24(28)22-17-14-13-15-18-22/h13-15,17-18,23-24,27-28H,2-12,16,19-21H2,1H3,(H,26,29)/t23-,24-/m1/s1
InChIKeyLFNPKXLKUQCCJV-DNQXCXABSA-N
XLogP5.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 55.68
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide?
The IUPAC name of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide (CID 10971504) is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide.
What is the SMILES notation for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide?
The canonical SMILES for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide is CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide?
The InChIKey is LFNPKXLKUQCCJV-DNQXCXABSA-N. The full InChI is InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(29)26-23(21-27)20-24(28)22-17-14-13-15-18-22/h13-15,17-18,23-24,27-28H,2-12,16,19-21H2,1H3,(H,26,29)/t23-,24-/m1/s1.
What are the key properties of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide?
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide has a molecular weight of 405.62 g/mol, XLogP of 5.68, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide is sourced from PubChem (CID 10971504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).