4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide

C20H24N2O2 — CID 49031326

IUPAC4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCCCN(CCc1ccccn1)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-2-15-22(16-13-18-10-6-7-14-21-18)20(24)12-11-19(23)17-8-4-3-5-9-17/h3-10,14H,2,11-13,15-16H2,1H3
InChIKeySXKFQMIXSXZZRK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.53
Rot. Bonds9

About 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide

4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 49031326) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID49031326
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCCCN(CCc1ccccn1)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-2-15-22(16-13-18-10-6-7-14-21-18)20(24)12-11-19(23)17-8-4-3-5-9-17/h3-10,14H,2,11-13,15-16H2,1H3
InChIKeySXKFQMIXSXZZRK-UHFFFAOYSA-N
XLogP3.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 10684868
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003
N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 49030662
N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 60590914
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
acetic acid;2-propylpyridine;hydrobromide
CID 70094168

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide (CID 49031326) is 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide is CCCN(CCc1ccccn1)C(=O)CCC(=O)c1ccccc1.
What is the InChIKey of 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is SXKFQMIXSXZZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-15-22(16-13-18-10-6-7-14-21-18)20(24)12-11-19(23)17-8-4-3-5-9-17/h3-10,14H,2,11-13,15-16H2,1H3.
What are the key properties of 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide?
4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 324.42 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 49031326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).