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N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

C19H23N3O4 — CID 91776968

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCOc1cc2c(cc1CNC(=O)CN(C)Cc1ccncc1)OCCO2
InChIInChI=1S/C19H23N3O4/c1-22(12-14-3-5-20-6-4-14)13-19(23)21-11-15-9-17-18(10-16(15)24-2)26-8-7-25-17/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,21,23)
InChIKeyPMMRXGHVKGCNNV-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.61
Rot. Bonds7

About N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 91776968) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID91776968
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCOc1cc2c(cc1CNC(=O)CN(C)Cc1ccncc1)OCCO2
InChIInChI=1S/C19H23N3O4/c1-22(12-14-3-5-20-6-4-14)13-19(23)21-11-15-9-17-18(10-16(15)24-2)26-8-7-25-17/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,21,23)
InChIKeyPMMRXGHVKGCNNV-UHFFFAOYSA-N
XLogP1.61
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (CID 91776968) is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is COc1cc2c(cc1CNC(=O)CN(C)Cc1ccncc1)OCCO2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is PMMRXGHVKGCNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-22(12-14-3-5-20-6-4-14)13-19(23)21-11-15-9-17-18(10-16(15)24-2)26-8-7-25-17/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 91776968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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