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

C17H17NO3 — CID 110726170

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C17H17NO3/c1-20-15-7-4-12(5-8-15)17(19)18-14-6-9-16-13(11-14)3-2-10-21-16/h4-9,11H,2-3,10H2,1H3,(H,18,19)
InChIKeyOFEYQNSVMFPLII-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide (PubChem CID 110726170) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
PubChem CID110726170
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C17H17NO3/c1-20-15-7-4-12(5-8-15)17(19)18-14-6-9-16-13(11-14)3-2-10-21-16/h4-9,11H,2-3,10H2,1H3,(H,18,19)
InChIKeyOFEYQNSVMFPLII-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
CID 110744167
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091455
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-4-[(4-methoxyphenyl)diazenyl]benzamide
CID 102336284
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
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 17498842
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-methoxybenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide (CID 110726170) is N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide?
The InChIKey is OFEYQNSVMFPLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-15-7-4-12(5-8-15)17(19)18-14-6-9-16-13(11-14)3-2-10-21-16/h4-9,11H,2-3,10H2,1H3,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide?
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide has a molecular weight of 283.33 g/mol, XLogP of 3.27, 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-methoxybenzamide is sourced from PubChem (CID 110726170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).