N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide

C18H28N2O2 — CID 82174958

IUPACN-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c1cc(C(N)C(C)C)c(C)c2C
InChIInChI=1S/C18H28N2O2/c1-6-16(21)20-15-7-8-22-18-12(5)11(4)13(9-14(15)18)17(19)10(2)3/h9-10,15,17H,6-8,19H2,1-5H3,(H,20,21)
InChIKeyNYNPVZXVTHPUBI-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.31
Rot. Bonds4

About N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide

N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 82174958) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound NameN-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID82174958
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c1cc(C(N)C(C)C)c(C)c2C
InChIInChI=1S/C18H28N2O2/c1-6-16(21)20-15-7-8-22-18-12(5)11(4)13(9-14(15)18)17(19)10(2)3/h9-10,15,17H,6-8,19H2,1-5H3,(H,20,21)
InChIKeyNYNPVZXVTHPUBI-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106
N-[8-(1-amino-2-methylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175138
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174910
N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175005
N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174947
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-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[8-chloro-6-(1-hydroxypropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175073
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161
N-[8-(1-aminopropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175195
N-[8-(1-hydroxybutyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 82175134

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 82174958) is N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide is CCC(=O)NC1CCOc2c1cc(C(N)C(C)C)c(C)c2C.
What is the InChIKey of N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is NYNPVZXVTHPUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-16(21)20-15-7-8-22-18-12(5)11(4)13(9-14(15)18)17(19)10(2)3/h9-10,15,17H,6-8,19H2,1-5H3,(H,20,21).
What are the key properties of N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide?
N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.31, 4 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-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 82174958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).