N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide

C15H23NO3 — CID 103861914

IUPACN-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCCCC(C)CO)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(11-17)7-6-10-16-15(18)14(19-2)13-8-4-3-5-9-13/h3-5,8-9,12,14,17H,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyYJEXZVSRFXKNDJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.90
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide

N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide (PubChem CID 103861914) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
PubChem CID103861914
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCCCC(C)CO)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(11-17)7-6-10-16-15(18)14(19-2)13-8-4-3-5-9-13/h3-5,8-9,12,14,17H,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyYJEXZVSRFXKNDJ-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.90
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

N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
CID 106308008
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 103861524

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide (CID 103861914) is N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide is COC(C(=O)NCCCC(C)CO)c1ccccc1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide?
The InChIKey is YJEXZVSRFXKNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(11-17)7-6-10-16-15(18)14(19-2)13-8-4-3-5-9-13/h3-5,8-9,12,14,17H,6-7,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide?
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide has a molecular weight of 265.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 103861914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).