N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide

C18H19NO2 — CID 139221686

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide
SMILESCC1(C)CCc2cc(NC(=O)c3ccccc3)ccc2O1
InChIInChI=1S/C18H19NO2/c1-18(2)11-10-14-12-15(8-9-16(14)21-18)19-17(20)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyJOHCCAOMEJMENW-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.04
Rot. Bonds2

About N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide

N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide (PubChem CID 139221686) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide
PubChem CID139221686
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide
SMILESCC1(C)CCc2cc(NC(=O)c3ccccc3)ccc2O1
InChIInChI=1S/C18H19NO2/c1-18(2)11-10-14-12-15(8-9-16(14)21-18)19-17(20)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyJOHCCAOMEJMENW-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylamino]methyl]phenyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166200055
4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
CID 1327317
6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide
CID 154844650
2-chloro-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-6-oxo-1H-pyridine-4-carboxamide
CID 154838309
2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
CID 84696853
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
ethyl 3-[6-[(4-cyanobenzoyl)amino]-2-methyl-3,4-dihydrochromen-2-yl]propanoate
CID 18427863
N-(4,7-dihydroxy-2-oxochromen-3-yl)-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
CID 154091225
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)pyridine-3-carboxamide
CID 108765324
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 124862513

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide (CID 139221686) is N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide is CC1(C)CCc2cc(NC(=O)c3ccccc3)ccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide?
The InChIKey is JOHCCAOMEJMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)11-10-14-12-15(8-9-16(14)21-18)19-17(20)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide?
N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide is sourced from PubChem (CID 139221686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).