N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

C20H21N3O4 — CID 26542953

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESO=C(CNc1ccccc1N1CCCC1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O4/c24-19(22-11-14-7-8-17-18(10-14)27-13-26-17)12-21-15-4-1-2-5-16(15)23-9-3-6-20(23)25/h1-2,4-5,7-8,10,21H,3,6,9,11-13H2,(H,22,24)
InChIKeyGVUPFQNNKRVFLU-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.27
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (PubChem CID 26542953) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
PubChem CID26542953
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESO=C(CNc1ccccc1N1CCCC1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O4/c24-19(22-11-14-7-8-17-18(10-14)27-13-26-17)12-21-15-4-1-2-5-16(15)23-9-3-6-20(23)25/h1-2,4-5,7-8,10,21H,3,6,9,11-13H2,(H,22,24)
InChIKeyGVUPFQNNKRVFLU-UHFFFAOYSA-N
XLogP2.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 108998849
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 18166634
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 55897786
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxyethoxy)anilino]acetamide
CID 52758367
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513598
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144263
N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584418
N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)acetamide
CID 27149961
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (CID 26542953) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is O=C(CNc1ccccc1N1CCCC1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The InChIKey is GVUPFQNNKRVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(22-11-14-7-8-17-18(10-14)27-13-26-17)12-21-15-4-1-2-5-16(15)23-9-3-6-20(23)25/h1-2,4-5,7-8,10,21H,3,6,9,11-13H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is sourced from PubChem (CID 26542953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).