N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide

C16H23FN2O3 — CID 82175049

IUPACN-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
SMILESCCCC(N)c1cc(F)c2c(c1)C(NC(=O)COC)CCO2
InChIInChI=1S/C16H23FN2O3/c1-3-4-13(18)10-7-11-14(19-15(20)9-21-2)5-6-22-16(11)12(17)8-10/h7-8,13-14H,3-6,9,18H2,1-2H3,(H,19,20)
InChIKeyNVZDDZPEKIJRAA-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.21
Rot. Bonds6

About N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide

N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide (PubChem CID 82175049) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
PubChem CID82175049
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
SMILESCCCC(N)c1cc(F)c2c(c1)C(NC(=O)COC)CCO2
InChIInChI=1S/C16H23FN2O3/c1-3-4-13(18)10-7-11-14(19-15(20)9-21-2)5-6-22-16(11)12(17)8-10/h7-8,13-14H,3-6,9,18H2,1-2H3,(H,19,20)
InChIKeyNVZDDZPEKIJRAA-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175005
N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82175025
N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175195
N-[6-(1-aminoethyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82175038
N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175009
N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174959
N-[8-(1-amino-2-methylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175138
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174691
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174910
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174673
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide (CID 82175049) is N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide is CCCC(N)c1cc(F)c2c(c1)C(NC(=O)COC)CCO2.
What is the InChIKey of N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The InChIKey is NVZDDZPEKIJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-3-4-13(18)10-7-11-14(19-15(20)9-21-2)5-6-22-16(11)12(17)8-10/h7-8,13-14H,3-6,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide has a molecular weight of 310.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 82175049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).