N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide

C18H20N2O3 — CID 26070602

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1
InChIInChI=1S/C18H20N2O3/c1-20(2)15-6-3-5-13(11-15)18(21)19-14-7-8-16-17(12-14)23-10-4-9-22-16/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,21)
InChIKeyMMFBFFKUWBDREO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.17
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide (PubChem CID 26070602) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide
PubChem CID26070602
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1
InChIInChI=1S/C18H20N2O3/c1-20(2)15-6-3-5-13(11-15)18(21)19-14-7-8-16-17(12-14)23-10-4-9-22-16/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,21)
InChIKeyMMFBFFKUWBDREO-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
CID 26070603
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46563844
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide
CID 2218416
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
3-(chloromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 43333468

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide (CID 26070602) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide?
The InChIKey is MMFBFFKUWBDREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20(2)15-6-3-5-13(11-15)18(21)19-14-7-8-16-17(12-14)23-10-4-9-22-16/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 26070602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).