N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide

C18H20N2O2 — CID 110744167

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H20N2O2/c1-20(2)16-8-5-13(6-9-16)18(21)19-15-7-10-17-14(12-15)4-3-11-22-17/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyNBDJNUVPBWBFNT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide

N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide (PubChem CID 110744167) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
PubChem CID110744167
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H20N2O2/c1-20(2)16-8-5-13(6-9-16)18(21)19-15-7-10-17-14(12-15)4-3-11-22-17/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyNBDJNUVPBWBFNT-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110793054
N-(3,4-dihydro-2H-chromen-6-yl)-4-[(propylhydrazinylidene)methyl]benzamide
CID 173315823
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(dimethylamino)benzamide
CID 24571318
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide (CID 110744167) is N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide?
The InChIKey is NBDJNUVPBWBFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(2)16-8-5-13(6-9-16)18(21)19-15-7-10-17-14(12-15)4-3-11-22-17/h5-10,12H,3-4,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide?
N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 110744167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).