N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide

C19H20N2O4 — CID 110794339

IUPACN-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cc2c(cc1CNC(=O)CNC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C19H20N2O4/c1-13-9-16-17(25-8-7-24-16)10-15(13)11-20-18(22)12-21-19(23)14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQDDSXXCKVJQEMV-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.81
Rot. Bonds5

About N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide

N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 110794339) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID110794339
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cc2c(cc1CNC(=O)CNC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C19H20N2O4/c1-13-9-16-17(25-8-7-24-16)10-15(13)11-20-18(22)12-21-19(23)14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQDDSXXCKVJQEMV-UHFFFAOYSA-N
XLogP1.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110793670
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
CID 110794329
3-(2-methoxyphenyl)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 110783484
2-(cyclopropylamino)-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]acetamide
CID 115158478
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoacetamide
CID 115166249
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
CID 9398128
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide (CID 110794339) is N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide is Cc1cc2c(cc1CNC(=O)CNC(=O)c1ccccc1)OCCO2.
What is the InChIKey of N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is QDDSXXCKVJQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-9-16-17(25-8-7-24-16)10-15(13)11-20-18(22)12-21-19(23)14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 340.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110794339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).