5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide

C20H26N2O2 — CID 95776404

IUPAC5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide
SMILESCC[C@@H](NC(=O)CCCCOc1cccc(C)c1)c1ccncc1
InChIInChI=1S/C20H26N2O2/c1-3-19(17-10-12-21-13-11-17)22-20(23)9-4-5-14-24-18-8-6-7-16(2)15-18/h6-8,10-13,15,19H,3-5,9,14H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyGBGAGUZYXOFJHV-LJQANCHMSA-N
MW326.44 g/mol
LogP4.21
Rot. Bonds9

About 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide

5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide (PubChem CID 95776404) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide.

Molecular Properties

Compound Name5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide
PubChem CID95776404
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide
SMILESCC[C@@H](NC(=O)CCCCOc1cccc(C)c1)c1ccncc1
InChIInChI=1S/C20H26N2O2/c1-3-19(17-10-12-21-13-11-17)22-20(23)9-4-5-14-24-18-8-6-7-16(2)15-18/h6-8,10-13,15,19H,3-5,9,14H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyGBGAGUZYXOFJHV-LJQANCHMSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
CID 132652069
(2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoic acid
CID 61174129
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99817638
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
CID 60584237
(2S,3R)-3-hydroxy-2-[4-(3-methylphenoxy)butanoylamino]butanoic acid
CID 104965093
N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide
CID 99790743
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide?
The IUPAC name of 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide (CID 95776404) is 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide.
What is the SMILES notation for 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide?
The canonical SMILES for 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide is CC[C@@H](NC(=O)CCCCOc1cccc(C)c1)c1ccncc1.
What is the InChIKey of 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide?
The InChIKey is GBGAGUZYXOFJHV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-19(17-10-12-21-13-11-17)22-20(23)9-4-5-14-24-18-8-6-7-16(2)15-18/h6-8,10-13,15,19H,3-5,9,14H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide?
5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide has a molecular weight of 326.44 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide is sourced from PubChem (CID 95776404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).