N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide

C25H28N2O2 — CID 86956430

IUPACN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
SMILESCc1ccc(CC(NC(=O)CCCOCc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C25H28N2O2/c1-20-12-14-21(15-13-20)18-24(23-10-5-6-16-26-23)27-25(28)11-7-17-29-19-22-8-3-2-4-9-22/h2-6,8-10,12-16,24H,7,11,17-19H2,1H3,(H,27,28)
InChIKeyABCVHYLXUPAKNA-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.79
Rot. Bonds10

About N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide (PubChem CID 86956430) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
PubChem CID86956430
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
SMILESCc1ccc(CC(NC(=O)CCCOCc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C25H28N2O2/c1-20-12-14-21(15-13-20)18-24(23-10-5-6-16-26-23)27-25(28)11-7-17-29-19-22-8-3-2-4-9-22/h2-6,8-10,12-16,24H,7,11,17-19H2,1H3,(H,27,28)
InChIKeyABCVHYLXUPAKNA-UHFFFAOYSA-N
XLogP4.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride
CID 21293880
(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119165871
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
CID 170714052
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide
CID 60546055

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide?
The IUPAC name of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide (CID 86956430) is N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide is Cc1ccc(CC(NC(=O)CCCOCc2ccccc2)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide?
The InChIKey is ABCVHYLXUPAKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-20-12-14-21(15-13-20)18-24(23-10-5-6-16-26-23)27-25(28)11-7-17-29-19-22-8-3-2-4-9-22/h2-6,8-10,12-16,24H,7,11,17-19H2,1H3,(H,27,28).
What are the key properties of N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide?
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide has a molecular weight of 388.51 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide is sourced from PubChem (CID 86956430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).