N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide

C23H39NO3 — CID 11810947

IUPACN-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](OC)c1ccccc1
InChIInChI=1S/C23H39NO3/c1-3-4-5-6-7-8-9-10-14-17-23(26)24-21(19-25)18-22(27-2)20-15-12-11-13-16-20/h11-13,15-16,21-22,25H,3-10,14,17-19H2,1-2H3,(H,24,26)/t21-,22-/m1/s1
InChIKeyULVWSLKYYGJMDC-FGZHOGPDSA-N
MW377.57 g/mol
LogP5.16
Rot. Bonds16

About N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide

N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide (PubChem CID 11810947) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide
PubChem CID11810947
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC NameN-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](OC)c1ccccc1
InChIInChI=1S/C23H39NO3/c1-3-4-5-6-7-8-9-10-14-17-23(26)24-21(19-25)18-22(27-2)20-15-12-11-13-16-20/h11-13,15-16,21-22,25H,3-10,14,17-19H2,1-2H3,(H,24,26)/t21-,22-/m1/s1
InChIKeyULVWSLKYYGJMDC-FGZHOGPDSA-N
XLogP5.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-2-decanoylamino-3-morpholino-1-propanol
CID 3129
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
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
(S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)-propionic acid benzyl ester
CID 10457079
3-hydroxy-4-[[(2S)-3-methyl-2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]octanoic acid
CID 44313647
3-hydroxy-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]octanoic acid
CID 44314128
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
D-erythro-MAPP
CID 124735
N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide
CID 6610216
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide?
The IUPAC name of N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide (CID 11810947) is N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide.
What is the SMILES notation for N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide?
The canonical SMILES for N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](OC)c1ccccc1.
What is the InChIKey of N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide?
The InChIKey is ULVWSLKYYGJMDC-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H39NO3/c1-3-4-5-6-7-8-9-10-14-17-23(26)24-21(19-25)18-22(27-2)20-15-12-11-13-16-20/h11-13,15-16,21-22,25H,3-10,14,17-19H2,1-2H3,(H,24,26)/t21-,22-/m1/s1.
What are the key properties of N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide?
N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide has a molecular weight of 377.57 g/mol, XLogP of 5.16, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide is sourced from PubChem (CID 11810947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).