N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide

C24H41NO2 — CID 44456544

IUPACN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O
InChIInChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25(3)21(2)24(27)22-18-15-14-16-19-22/h14-16,18-19,21,24,27H,4-13,17,20H2,1-3H3/t21-,24-/m0/s1
InChIKeyJJXAYYULYPABQU-URXFXBBRSA-N
MW375.60 g/mol
LogP7.20
Rot. Bonds15

About N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide (PubChem CID 44456544) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
PubChem CID44456544
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O
InChIInChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25(3)21(2)24(27)22-18-15-14-16-19-22/h14-16,18-19,21,24,27H,4-13,17,20H2,1-3H3/t21-,24-/m0/s1
InChIKeyJJXAYYULYPABQU-URXFXBBRSA-N
XLogP7.20
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity365

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide (CID 44456544) is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide is CCCCCCCCCCCCCC(=O)N(C)[C@@H](C)[C@@H](C1=CC=CC=C1)O.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide?
The InChIKey is JJXAYYULYPABQU-URXFXBBRSA-N. The full InChI is InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25(3)21(2)24(27)22-18-15-14-16-19-22/h14-16,18-19,21,24,27H,4-13,17,20H2,1-3H3/t21-,24-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide?
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide has a molecular weight of 375.60 g/mol, XLogP of 7.20, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide is sourced from PubChem (CID 44456544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).