N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide

C19H23NO3 — CID 91188412

IUPACN-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide
SMILESCOCCCC[C@](O)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-23-15-9-8-14-19(22,17-12-6-3-7-13-17)20-18(21)16-10-4-2-5-11-16/h2-7,10-13,22H,8-9,14-15H2,1H3,(H,20,21)/t19-/m1/s1
InChIKeyNQPJXMVGSKXMCC-LJQANCHMSA-N
MW313.40 g/mol
LogP3.08
Rot. Bonds8

About N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide

N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide (PubChem CID 91188412) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide
PubChem CID91188412
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide
SMILESCOCCCC[C@](O)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-23-15-9-8-14-19(22,17-12-6-3-7-13-17)20-18(21)16-10-4-2-5-11-16/h2-7,10-13,22H,8-9,14-15H2,1H3,(H,20,21)/t19-/m1/s1
InChIKeyNQPJXMVGSKXMCC-LJQANCHMSA-N
XLogP3.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-hydroxy-5-methoxy-1-(3-methylphenyl)pentyl]piperidine-1-carboxamide
CID 90723597
[(3S)-7-methoxy-2,2,3-trimethylheptan-3-yl]benzene
CID 159915288
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
2,2-bis(2-methoxyethoxy)-1,2-diphenylethanone
CID 14762562
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
N-(5-methyldodecan-5-yl)benzamide
CID 130355979
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-3-phenylpropane-1,3-dione
CID 163212628

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide?
The IUPAC name of N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide (CID 91188412) is N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide?
The canonical SMILES for N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide is COCCCC[C@](O)(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide?
The InChIKey is NQPJXMVGSKXMCC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-15-9-8-14-19(22,17-12-6-3-7-13-17)20-18(21)16-10-4-2-5-11-16/h2-7,10-13,22H,8-9,14-15H2,1H3,(H,20,21)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide?
N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-5-methoxy-1-phenylpentyl]benzamide is sourced from PubChem (CID 91188412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).