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

C18H20N2O2 — CID 110751024

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2COc3ccccc3C2)cc1
InChIInChI=1S/C18H20N2O2/c1-20(2)16-9-7-13(8-10-16)18(21)19-15-11-14-5-3-4-6-17(14)22-12-15/h3-10,15H,11-12H2,1-2H3,(H,19,21)
InChIKeyZFZJSAVHEHIZEQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.49
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide (PubChem CID 110751024) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
PubChem CID110751024
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2COc3ccccc3C2)cc1
InChIInChI=1S/C18H20N2O2/c1-20(2)16-9-7-13(8-10-16)18(21)19-15-11-14-5-3-4-6-17(14)22-12-15/h3-10,15H,11-12H2,1-2H3,(H,19,21)
InChIKeyZFZJSAVHEHIZEQ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 22896535
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 126446922
2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
CID 97233703
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 94466660
N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 86286458
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154758238

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide (CID 110751024) is N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2COc3ccccc3C2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide?
The InChIKey is ZFZJSAVHEHIZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(2)16-9-7-13(8-10-16)18(21)19-15-11-14-5-3-4-6-17(14)22-12-15/h3-10,15H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide?
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.49, 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-3-yl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 110751024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).