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

C20H33NO3 — CID 11099742

IUPACN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C20H33NO3/c1-2-3-4-5-6-7-11-14-20(24)21-18(16-22)15-19(23)17-12-9-8-10-13-17/h8-10,12-13,18-19,22-23H,2-7,11,14-16H2,1H3,(H,21,24)/t18-,19-/m1/s1
InChIKeyGBXWRIYMZLKSFD-RTBURBONSA-N
MW335.49 g/mol
LogP3.73
Rot. Bonds13

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

N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide (PubChem CID 11099742) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide
PubChem CID11099742
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC NameN-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
InChIInChI=1S/C20H33NO3/c1-2-3-4-5-6-7-11-14-20(24)21-18(16-22)15-19(23)17-12-9-8-10-13-17/h8-10,12-13,18-19,22-23H,2-7,11,14-16H2,1H3,(H,21,24)/t18-,19-/m1/s1
InChIKeyGBXWRIYMZLKSFD-RTBURBONSA-N
XLogP3.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.73
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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Related Compounds

(S)-N-oleoyltyrosinol
CID 10410511
1-Phenyl-2-decanoylamino-3-morpholino-1-propanol
CID 3129
(Z)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide
CID 6604915
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
DL-threo-PDMP
CID 11957678
1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
CID 51719
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
(R)-N-oleoyltyrosinol
CID 73755147
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide?
The IUPAC name of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide (CID 11099742) is N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide.
What is the SMILES notation for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide?
The canonical SMILES for N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide is CCCCCCCCCC(=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]decanamide?
The InChIKey is GBXWRIYMZLKSFD-RTBURBONSA-N. The full InChI is InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-11-14-20(24)21-18(16-22)15-19(23)17-12-9-8-10-13-17/h8-10,12-13,18-19,22-23H,2-7,11,14-16H2,1H3,(H,21,24)/t18-,19-/m1/s1.
What are the key properties of N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide?
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide has a molecular weight of 335.49 g/mol, XLogP of 3.73, 13 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]decanamide is sourced from PubChem (CID 11099742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).