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

C15H22N2O2 — CID 65297971

IUPAC4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CC(N)c1ccc2c(c1)CCCO2)C(N)=O
InChIInChI=1S/C15H22N2O2/c1-15(2,14(17)18)9-12(16)10-5-6-13-11(8-10)4-3-7-19-13/h5-6,8,12H,3-4,7,9,16H2,1-2H3,(H2,17,18)
InChIKeyQEHDVIHVPVCBQG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds4

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

4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide (PubChem CID 65297971) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
PubChem CID65297971
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CC(N)c1ccc2c(c1)CCCO2)C(N)=O
InChIInChI=1S/C15H22N2O2/c1-15(2,14(17)18)9-12(16)10-5-6-13-11(8-10)4-3-7-19-13/h5-6,8,12H,3-4,7,9,16H2,1-2H3,(H2,17,18)
InChIKeyQEHDVIHVPVCBQG-UHFFFAOYSA-N
XLogP1.91
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
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-dimethylpentanamide
CID 62932981
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
CID 62932980
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
[(2R)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
CID 70823930
[(2S)-2-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
CID 70832915
(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
(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

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide (CID 65297971) is 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide is CC(C)(CC(N)c1ccc2c(c1)CCCO2)C(N)=O.
What is the InChIKey of 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide?
The InChIKey is QEHDVIHVPVCBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,14(17)18)9-12(16)10-5-6-13-11(8-10)4-3-7-19-13/h5-6,8,12H,3-4,7,9,16H2,1-2H3,(H2,17,18).
What are the key properties of 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide?
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 65297971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).