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

C18H28N2O2 — CID 82175106

IUPACN-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c1cc(C)cc2C(N)C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-6-15(21)20-14-7-8-22-16-12(14)9-11(2)10-13(16)17(19)18(3,4)5/h9-10,14,17H,6-8,19H2,1-5H3,(H,20,21)
InChIKeyPOIHDDMOBYJCLZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.39
Rot. Bonds3

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

N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 82175106) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound NameN-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID82175106
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c1cc(C)cc2C(N)C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-6-15(21)20-14-7-8-22-16-12(14)9-11(2)10-13(16)17(19)18(3,4)5/h9-10,14,17H,6-8,19H2,1-5H3,(H,20,21)
InChIKeyPOIHDDMOBYJCLZ-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[8-(1-amino-2-methylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175138
N-[8-(1-amino-2,2-dimethylpropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 82175134
N-[8-(1-amino-2,2-dimethylpropyl)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175231
N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174959
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-[8-(1-hydroxy-2-methoxyethyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175095
N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175009
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161

Frequently Asked Questions

What is the IUPAC name of N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 82175106) is N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide is CCC(=O)NC1CCOc2c1cc(C)cc2C(N)C(C)(C)C.
What is the InChIKey of N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is POIHDDMOBYJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-15(21)20-14-7-8-22-16-12(14)9-11(2)10-13(16)17(19)18(3,4)5/h9-10,14,17H,6-8,19H2,1-5H3,(H,20,21).
What are the key properties of N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 82175106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).