N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

C12H15NO3 — CID 69467433

IUPACN-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCOc2cc(CO)ccc21
InChIInChI=1S/C12H15NO3/c1-8(15)13-11-4-5-16-12-6-9(7-14)2-3-10(11)12/h2-3,6,11,14H,4-5,7H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyOWDISDLDMDFZIB-LLVKDONJSA-N
MW221.26 g/mol
LogP1.14
Rot. Bonds2

About N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 69467433) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID69467433
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCOc2cc(CO)ccc21
InChIInChI=1S/C12H15NO3/c1-8(15)13-11-4-5-16-12-6-9(7-14)2-3-10(11)12/h2-3,6,11,14H,4-5,7H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyOWDISDLDMDFZIB-LLVKDONJSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-chloroacetyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166058
N-[(5S)-8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 97161642
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174588
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
4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 47014206
N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 165396334
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
N-[7-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-(methanesulfonamido)-3-phenylpropanamide
CID 59792143
N-[6-[amino(cyclohexyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174592
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 53498052

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 69467433) is N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)N[C@@H]1CCOc2cc(CO)ccc21.
What is the InChIKey of N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is OWDISDLDMDFZIB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(15)13-11-4-5-16-12-6-9(7-14)2-3-10(11)12/h2-3,6,11,14H,4-5,7H2,1H3,(H,13,15)/t11-/m1/s1.
What are the key properties of N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-7-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 69467433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).