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

C21H35NO3 — CID 11035480

IUPACN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide
SMILESCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-12-15-21(25)22-19(17-23)16-20(24)18-13-10-9-11-14-18/h9-11,13-14,19-20,23-24H,2-8,12,15-17H2,1H3,(H,22,25)/t19-,20-/m1/s1
InChIKeyFTSWGKMHLUAFCI-WOJBJXKFSA-N
MW349.52 g/mol
LogP4.12
Rot. Bonds14

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

N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide (PubChem CID 11035480) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide
PubChem CID11035480
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide
SMILESCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-12-15-21(25)22-19(17-23)16-20(24)18-13-10-9-11-14-18/h9-11,13-14,19-20,23-24H,2-8,12,15-17H2,1H3,(H,22,25)/t19-,20-/m1/s1
InChIKeyFTSWGKMHLUAFCI-WOJBJXKFSA-N
XLogP4.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.12
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]undecanamide?
The IUPAC name of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide (CID 11035480) is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide.
What is the SMILES notation for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide?
The canonical SMILES for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide is CCCCCCCCCCC(=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]undecanamide?
The InChIKey is FTSWGKMHLUAFCI-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-12-15-21(25)22-19(17-23)16-20(24)18-13-10-9-11-14-18/h9-11,13-14,19-20,23-24H,2-8,12,15-17H2,1H3,(H,22,25)/t19-,20-/m1/s1.
What are the key properties of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide?
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide has a molecular weight of 349.52 g/mol, XLogP of 4.12, 14 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]undecanamide is sourced from PubChem (CID 11035480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).