N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide

C18H19NO3 — CID 110751162

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCOc3ccccc32)cc1
InChIInChI=1S/C18H19NO3/c1-19(18(20)13-7-9-14(21-2)10-8-13)16-11-12-22-17-6-4-3-5-15(16)17/h3-10,16H,11-12H2,1-2H3
InChIKeyLSPNKKPSPHCZKQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.29
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide (PubChem CID 110751162) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
PubChem CID110751162
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCOc3ccccc32)cc1
InChIInChI=1S/C18H19NO3/c1-19(18(20)13-7-9-14(21-2)10-8-13)16-11-12-22-17-6-4-3-5-15(16)17/h3-10,16H,11-12H2,1-2H3
InChIKeyLSPNKKPSPHCZKQ-UHFFFAOYSA-N
XLogP3.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
CID 110751156
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
CID 110750879
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 110750957
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 119146886
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 108757184
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide (CID 110751162) is N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C2CCOc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide?
The InChIKey is LSPNKKPSPHCZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19(18(20)13-7-9-14(21-2)10-8-13)16-11-12-22-17-6-4-3-5-15(16)17/h3-10,16H,11-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide has a molecular weight of 297.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 110751162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).