4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide

C18H25NO4 — CID 78774490

IUPAC4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H25NO4/c1-2-11-22-15-7-5-14(6-8-15)17(20)9-10-18(21)19-13-16-4-3-12-23-16/h5-8,16H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyKNOYFLPNCPJGFL-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.73
Rot. Bonds9

About 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide

4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide (PubChem CID 78774490) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
PubChem CID78774490
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H25NO4/c1-2-11-22-15-7-5-14(6-8-15)17(20)9-10-18(21)19-13-16-4-3-12-23-16/h5-8,16H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyKNOYFLPNCPJGFL-UHFFFAOYSA-N
XLogP2.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
CID 55527756
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
CID 9291487
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
3-(4-butoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 2792148
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
N-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-4-pentoxybenzamide
CID 8714560

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide?
The IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide (CID 78774490) is 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide?
The InChIKey is KNOYFLPNCPJGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-11-22-15-7-5-14(6-8-15)17(20)9-10-18(21)19-13-16-4-3-12-23-16/h5-8,16H,2-4,9-13H2,1H3,(H,19,21).
What are the key properties of 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide?
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide has a molecular weight of 319.40 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 78774490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).