N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide

C17H20N2O5 — CID 146379924

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(C)=O)C1)OCO2
InChIInChI=1S/C17H20N2O5/c1-10(20)13-6-15-16(24-9-23-15)7-14(13)18-17(22)5-12-3-4-19(8-12)11(2)21/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,22)
InChIKeyPHGLXNXNIRJSJZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.81
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide (PubChem CID 146379924) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide
PubChem CID146379924
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(C)=O)C1)OCO2
InChIInChI=1S/C17H20N2O5/c1-10(20)13-6-15-16(24-9-23-15)7-14(13)18-17(22)5-12-3-4-19(8-12)11(2)21/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,22)
InChIKeyPHGLXNXNIRJSJZ-UHFFFAOYSA-N
XLogP1.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]acetamide
CID 146379821
3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylic acid
CID 174163696
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 146379928
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 166005021
propyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379967
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 166005040
propyl 3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379907
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide
CID 146379932
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide
CID 146379820
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 146349789
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 146379985
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 146379969

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide (CID 146379924) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide is CC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(C)=O)C1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide?
The InChIKey is PHGLXNXNIRJSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-10(20)13-6-15-16(24-9-23-15)7-14(13)18-17(22)5-12-3-4-19(8-12)11(2)21/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,22).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 146379924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).