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

C23H39NO3 — CID 10045162

IUPACN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23(27)24-21(19-25)18-22(26)20-15-12-11-13-16-20/h11-13,15-16,21-22,25-26H,2-10,14,17-19H2,1H3,(H,24,27)/t21-,22-/m1/s1
InChIKeyQFIYNRCZMOYKEJ-FGZHOGPDSA-N
MW377.57 g/mol
LogP4.90
Rot. Bonds16

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

N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide (PubChem CID 10045162) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide
PubChem CID10045162
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23(27)24-21(19-25)18-22(26)20-15-12-11-13-16-20/h11-13,15-16,21-22,25-26H,2-10,14,17-19H2,1H3,(H,24,27)/t21-,22-/m1/s1
InChIKeyQFIYNRCZMOYKEJ-FGZHOGPDSA-N
XLogP4.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.90
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]tridecanamide?
The IUPAC name of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide (CID 10045162) is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide.
What is the SMILES notation for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide?
The canonical SMILES for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide is CCCCCCCCCCCCC(=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]tridecanamide?
The InChIKey is QFIYNRCZMOYKEJ-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23(27)24-21(19-25)18-22(26)20-15-12-11-13-16-20/h11-13,15-16,21-22,25-26H,2-10,14,17-19H2,1H3,(H,24,27)/t21-,22-/m1/s1.
What are the key properties of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide?
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tridecanamide has a molecular weight of 377.57 g/mol, XLogP of 4.90, 16 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]tridecanamide is sourced from PubChem (CID 10045162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).