4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide

C18H22N2O — CID 78883201

IUPAC4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCc2ccccc2)c(C)n1
InChIInChI=1S/C18H22N2O/c1-13-12-14(2)19-15(3)18(13)20-17(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,21)
InChIKeyNEXFVDKEHWUVPU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.97
Rot. Bonds5

About 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide

4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide (PubChem CID 78883201) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
PubChem CID78883201
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCc2ccccc2)c(C)n1
InChIInChI=1S/C18H22N2O/c1-13-12-14(2)19-15(3)18(13)20-17(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,21)
InChIKeyNEXFVDKEHWUVPU-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78888932
3-(4-ethylphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78859486
2-(4-butylphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859538
3-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837758
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837843
N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
CID 107300978
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
(3S)-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)pentanamide
CID 124623554
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
2-(2,6-dimethylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859856
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
N-(5-amino-2-bromo-4-methylphenyl)-4-phenylbutanamide
CID 104814385

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The IUPAC name of 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide (CID 78883201) is 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The canonical SMILES for 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide is Cc1cc(C)c(NC(=O)CCCc2ccccc2)c(C)n1.
What is the InChIKey of 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The InChIKey is NEXFVDKEHWUVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-12-14(2)19-15(3)18(13)20-17(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,21).
What are the key properties of 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide has a molecular weight of 282.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide is sourced from PubChem (CID 78883201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).