N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide

C16H21NO4 — CID 82174603

IUPACN-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2ccc(C(O)C3CCCO3)cc21
InChIInChI=1S/C16H21NO4/c1-10(18)17-13-6-8-21-14-5-4-11(9-12(13)14)16(19)15-3-2-7-20-15/h4-5,9,13,15-16,19H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyDZJOXFHKTIWSME-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.86
Rot. Bonds3

About N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82174603) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82174603
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2ccc(C(O)C3CCCO3)cc21
InChIInChI=1S/C16H21NO4/c1-10(18)17-13-6-8-21-14-5-4-11(9-12(13)14)16(19)15-3-2-7-20-15/h4-5,9,13,15-16,19H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyDZJOXFHKTIWSME-UHFFFAOYSA-N
XLogP1.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[amino(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174587
N-[6-[amino(cyclohexyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174592
N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174599
N-[6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174602
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174588
N-[6-[amino(oxolan-2-yl)methyl]-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174797
N-[6-(2-chloroacetyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166058
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698
N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 69467433

Frequently Asked Questions

What is the IUPAC name of N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82174603) is N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)NC1CCOc2ccc(C(O)C3CCCO3)cc21.
What is the InChIKey of N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is DZJOXFHKTIWSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(18)17-13-6-8-21-14-5-4-11(9-12(13)14)16(19)15-3-2-7-20-15/h4-5,9,13,15-16,19H,2-3,6-8H2,1H3,(H,17,18).
What are the key properties of N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82174603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).