1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C19H27N3O4 — CID 18125238

IUPAC1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(NC(=O)CN1CCCC1C(=O)N(C)C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H27N3O4/c1-13(14-6-7-16-17(11-14)26-10-9-25-16)20-18(23)12-22-8-4-5-15(22)19(24)21(2)3/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3,(H,20,23)
InChIKeyRUYCFSHQRYMZBL-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.19
Rot. Bonds5

About 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 18125238) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID18125238
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(NC(=O)CN1CCCC1C(=O)N(C)C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H27N3O4/c1-13(14-6-7-16-17(11-14)26-10-9-25-16)20-18(23)12-22-8-4-5-15(22)19(24)21(2)3/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3,(H,20,23)
InChIKeyRUYCFSHQRYMZBL-UHFFFAOYSA-N
XLogP1.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18125232
2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 124741942
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094331
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9434707
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031662
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethylbutanamide
CID 47111685
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 51223853
2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 124728540
2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 124819767
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 9458573
(2S)-1-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyrrolidine-2-carboxylic acid
CID 124693969
2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 124820587

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 18125238) is 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CC(NC(=O)CN1CCCC1C(=O)N(C)C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is RUYCFSHQRYMZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(14-6-7-16-17(11-14)26-10-9-25-16)20-18(23)12-22-8-4-5-15(22)19(24)21(2)3/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3,(H,20,23).
What are the key properties of 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18125238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).