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

C24H41NO3 — CID 11143662

IUPACN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(28)25-22(20-26)19-23(27)21-16-13-12-14-17-21/h12-14,16-17,22-23,26-27H,2-11,15,18-20H2,1H3,(H,25,28)/t22-,23-/m1/s1
InChIKeyMWVNSXPNTJYJDR-DHIUTWEWSA-N
MW391.60 g/mol
LogP5.29
Rot. Bonds17

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

N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide (PubChem CID 11143662) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide
PubChem CID11143662
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(28)25-22(20-26)19-23(27)21-16-13-12-14-17-21/h12-14,16-17,22-23,26-27H,2-11,15,18-20H2,1H3,(H,25,28)/t22-,23-/m1/s1
InChIKeyMWVNSXPNTJYJDR-DHIUTWEWSA-N
XLogP5.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 55.29
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]tetradecanamide?
The IUPAC name of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide (CID 11143662) is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide.
What is the SMILES notation for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide?
The canonical SMILES for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=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]tetradecanamide?
The InChIKey is MWVNSXPNTJYJDR-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(28)25-22(20-26)19-23(27)21-16-13-12-14-17-21/h12-14,16-17,22-23,26-27H,2-11,15,18-20H2,1H3,(H,25,28)/t22-,23-/m1/s1.
What are the key properties of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide?
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]tetradecanamide has a molecular weight of 391.60 g/mol, XLogP of 5.29, 17 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]tetradecanamide is sourced from PubChem (CID 11143662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).