N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

C20H23N3O4 — CID 8975070

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@H]1c1cccn1C)OCO2
InChIInChI=1S/C20H23N3O4/c1-13(24)14-9-18-19(27-12-26-18)10-15(14)21-20(25)11-23-8-4-6-17(23)16-5-3-7-22(16)2/h3,5,7,9-10,17H,4,6,8,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyRDHNRWQVVJCMIT-KRWDZBQOSA-N
MW369.42 g/mol
LogP2.73
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 8975070) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID8975070
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@H]1c1cccn1C)OCO2
InChIInChI=1S/C20H23N3O4/c1-13(24)14-9-18-19(27-12-26-18)10-15(14)21-20(25)11-23-8-4-6-17(23)16-5-3-7-22(16)2/h3,5,7,9-10,17H,4,6,8,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyRDHNRWQVVJCMIT-KRWDZBQOSA-N
XLogP2.73
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 1439070
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methylpiperidin-1-yl)acetamide
CID 655232
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 7775025
N-(4-fluorophenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976718
N-(4-fluorophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976713
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976124
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 47011082
2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30739132
N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973112
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 8975070) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@H]1c1cccn1C)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is RDHNRWQVVJCMIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(24)14-9-18-19(27-12-26-18)10-15(14)21-20(25)11-23-8-4-6-17(23)16-5-3-7-22(16)2/h3,5,7,9-10,17H,4,6,8,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 8975070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).