5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide

C16H24N2O2 — CID 62932981

IUPAC5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
SMILESCC(C)(CC(N)=O)CC(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H24N2O2/c1-16(2,10-15(18)19)9-13(17)11-5-6-14-12(8-11)4-3-7-20-14/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H2,18,19)
InChIKeyJJXDRENGGUASFS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds5

About 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide

5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide (PubChem CID 62932981) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
PubChem CID62932981
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
SMILESCC(C)(CC(N)=O)CC(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H24N2O2/c1-16(2,10-15(18)19)9-13(17)11-5-6-14-12(8-11)4-3-7-20-14/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H2,18,19)
InChIKeyJJXDRENGGUASFS-UHFFFAOYSA-N
XLogP2.30
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
CID 62932980
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide?
The IUPAC name of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide (CID 62932981) is 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide.
What is the SMILES notation for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide?
The canonical SMILES for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide is CC(C)(CC(N)=O)CC(N)c1ccc2c(c1)CCCO2.
What is the InChIKey of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide?
The InChIKey is JJXDRENGGUASFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,10-15(18)19)9-13(17)11-5-6-14-12(8-11)4-3-7-20-14/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H2,18,19).
What are the key properties of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide?
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide has a molecular weight of 276.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide is sourced from PubChem (CID 62932981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).