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

C19H23N3O4 — CID 91776968

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

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

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Related Compounds

N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118782597
2-chloro-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 86810322
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 97268936
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121490
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 31379941
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8908217
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178426
2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 53046869
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 31379931
2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 91839967
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 99932972

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).