2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide

C14H19NO4 — CID 77089658

IUPAC2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCOC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-12-4-3-10(7-13(12)18-2)8-14(16)15-11-5-6-19-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyYUSULRKOSVMCQK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.15
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide (PubChem CID 77089658) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
PubChem CID77089658
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCOC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-12-4-3-10(7-13(12)18-2)8-14(16)15-11-5-6-19-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyYUSULRKOSVMCQK-UHFFFAOYSA-N
XLogP1.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)propanamide
CID 66750690
2-(4-ethenyl-2-methoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 176516246
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;4-methyl-N-(oxan-4-yl)pentanamide
CID 144669624
2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62805451
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
CID 99928750
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide (CID 77089658) is 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide is COc1ccc(CC(=O)NC2CCOC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide?
The InChIKey is YUSULRKOSVMCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-4-3-10(7-13(12)18-2)8-14(16)15-11-5-6-19-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 77089658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).