N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide

C17H25FN2O2 — CID 82175005

IUPACN-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c(F)cc(C(N)C(C)(C)C)cc21
InChIInChI=1S/C17H25FN2O2/c1-5-14(21)20-13-6-7-22-15-11(13)8-10(9-12(15)18)16(19)17(2,3)4/h8-9,13,16H,5-7,19H2,1-4H3,(H,20,21)
InChIKeyULOWHCVOUAMHFC-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.22
Rot. Bonds3

About N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide

N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 82175005) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound NameN-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID82175005
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c(F)cc(C(N)C(C)(C)C)cc21
InChIInChI=1S/C17H25FN2O2/c1-5-14(21)20-13-6-7-22-15-11(13)8-10(9-12(15)18)16(19)17(2,3)4/h8-9,13,16H,5-7,19H2,1-4H3,(H,20,21)
InChIKeyULOWHCVOUAMHFC-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175009
N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106
N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82175025
N-[6-(1-aminoethyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82175038
N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175049
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174910
N-[8-chloro-6-(1-hydroxypropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175073
N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174959
N-[8-(1-amino-2,2-dimethylpropyl)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175231
N-[8-(1-amino-2,2-dimethylpropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[6-(1-hydroxy-2,2-dimethylpropyl)-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174806

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 82175005) is N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide is CCC(=O)NC1CCOc2c(F)cc(C(N)C(C)(C)C)cc21.
What is the InChIKey of N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is ULOWHCVOUAMHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-5-14(21)20-13-6-7-22-15-11(13)8-10(9-12(15)18)16(19)17(2,3)4/h8-9,13,16H,5-7,19H2,1-4H3,(H,20,21).
What are the key properties of N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide?
N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 82175005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).