4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide

C17H25NO5 — CID 84556231

IUPAC4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide
SMILESCOc1ccc(C(O)CCC(=O)NCC2CCCO2)c(OC)c1
InChIInChI=1S/C17H25NO5/c1-21-12-5-6-14(16(10-12)22-2)15(19)7-8-17(20)18-11-13-4-3-9-23-13/h5-6,10,13,15,19H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyUDOJIOCDFFJYRW-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.81
Rot. Bonds8

About 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide

4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 84556231) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide
PubChem CID84556231
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide
SMILESCOc1ccc(C(O)CCC(=O)NCC2CCCO2)c(OC)c1
InChIInChI=1S/C17H25NO5/c1-21-12-5-6-14(16(10-12)22-2)15(19)7-8-17(20)18-11-13-4-3-9-23-13/h5-6,10,13,15,19H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyUDOJIOCDFFJYRW-UHFFFAOYSA-N
XLogP1.81
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951950
4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
CID 84556248
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
[1-(2,4-dimethoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267581
2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 43952697

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide (CID 84556231) is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide is COc1ccc(C(O)CCC(=O)NCC2CCCO2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is UDOJIOCDFFJYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-21-12-5-6-14(16(10-12)22-2)15(19)7-8-17(20)18-11-13-4-3-9-23-13/h5-6,10,13,15,19H,3-4,7-9,11H2,1-2H3,(H,18,20).
What are the key properties of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide?
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 323.39 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 84556231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).