N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide

C15H20N2O3 — CID 63141698

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc3c(c2)OCCO3)CCNC1
InChIInChI=1S/C15H20N2O3/c1-15(4-5-16-10-15)14(18)17-9-11-2-3-12-13(8-11)20-7-6-19-12/h2-3,8,16H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyPPAGCLHTJXBZHW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63141698) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63141698
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc3c(c2)OCCO3)CCNC1
InChIInChI=1S/C15H20N2O3/c1-15(4-5-16-10-15)14(18)17-9-11-2-3-12-13(8-11)20-7-6-19-12/h2-3,8,16H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyPPAGCLHTJXBZHW-UHFFFAOYSA-N
XLogP1.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707914
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
CID 116567636
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(furan-3-ylmethyl)urea
CID 51083551
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141348

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide (CID 63141698) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NCc2ccc3c(c2)OCCO3)CCNC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is PPAGCLHTJXBZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(4-5-16-10-15)14(18)17-9-11-2-3-12-13(8-11)20-7-6-19-12/h2-3,8,16H,4-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).