N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide

C27H32N2O2 — CID 142185277

IUPACN-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(OCCCCCc3ccncc3)cc2)cc1C
InChIInChI=1S/C27H32N2O2/c1-21-7-11-25(20-22(21)2)29-27(30)14-10-24-8-12-26(13-9-24)31-19-5-3-4-6-23-15-17-28-18-16-23/h7-9,11-13,15-18,20H,3-6,10,14,19H2,1-2H3,(H,29,30)
InChIKeyJKOIYQXUEIVUTI-UHFFFAOYSA-N
MW416.57 g/mol
LogP6.06
Rot. Bonds11

About N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide

N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide (PubChem CID 142185277) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide
PubChem CID142185277
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC NameN-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(OCCCCCc3ccncc3)cc2)cc1C
InChIInChI=1S/C27H32N2O2/c1-21-7-11-25(20-22(21)2)29-27(30)14-10-24-8-12-26(13-9-24)31-19-5-3-4-6-23-15-17-28-18-16-23/h7-9,11-13,15-18,20H,3-6,10,14,19H2,1-2H3,(H,29,30)
InChIKeyJKOIYQXUEIVUTI-UHFFFAOYSA-N
XLogP6.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.06
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-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide
CID 126836477
methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate
CID 71043442
2-(dimethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid
CID 10205705
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4933799
2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide
CID 58804654
2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
[4-(3-pyridin-4-ylpropoxy)phenyl]urea
CID 143052287

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide (CID 142185277) is N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide is Cc1ccc(NC(=O)CCc2ccc(OCCCCCc3ccncc3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide?
The InChIKey is JKOIYQXUEIVUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-21-7-11-25(20-22(21)2)29-27(30)14-10-24-8-12-26(13-9-24)31-19-5-3-4-6-23-15-17-28-18-16-23/h7-9,11-13,15-18,20H,3-6,10,14,19H2,1-2H3,(H,29,30).
What are the key properties of N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide?
N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide has a molecular weight of 416.57 g/mol, XLogP of 6.06, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide is sourced from PubChem (CID 142185277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).