N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide

C17H25NO4 — CID 82174698

IUPACN-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCOc2ccc(C(O)CC(C)C)cc21
InChIInChI=1S/C17H25NO4/c1-11(2)8-15(19)12-4-5-16-13(9-12)14(6-7-22-16)18-17(20)10-21-3/h4-5,9,11,14-15,19H,6-8,10H2,1-3H3,(H,18,20)
InChIKeyAWAFSJXNHRJWHE-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.35
Rot. Bonds6

About N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide

N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide (PubChem CID 82174698) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
PubChem CID82174698
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCOc2ccc(C(O)CC(C)C)cc21
InChIInChI=1S/C17H25NO4/c1-11(2)8-15(19)12-4-5-16-13(9-12)14(6-7-22-16)18-17(20)10-21-3/h4-5,9,11,14-15,19H,6-8,10H2,1-3H3,(H,18,20)
InChIKeyAWAFSJXNHRJWHE-UHFFFAOYSA-N
XLogP2.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174691
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174599
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174676
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]ethanesulfonamide
CID 82174712
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
CID 110475783
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 108730892
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
CID 86872157

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide (CID 82174698) is N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCOc2ccc(C(O)CC(C)C)cc21.
What is the InChIKey of N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
The InChIKey is AWAFSJXNHRJWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-11(2)8-15(19)12-4-5-16-13(9-12)14(6-7-22-16)18-17(20)10-21-3/h4-5,9,11,14-15,19H,6-8,10H2,1-3H3,(H,18,20).
What are the key properties of N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide?
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide has a molecular weight of 307.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 82174698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).