N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

C17H15NO5 — CID 8882715

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccco1
InChIInChI=1S/C17H15NO5/c1-11(14-3-2-8-21-14)18-16(19)10-22-13-6-4-12-5-7-17(20)23-15(12)9-13/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeySVEDNEPGHYUNFB-LLVKDONJSA-N
MW313.31 g/mol
LogP2.64
Rot. Bonds5

About N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 8882715) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID8882715
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccco1
InChIInChI=1S/C17H15NO5/c1-11(14-3-2-8-21-14)18-16(19)10-22-13-6-4-12-5-7-17(20)23-15(12)9-13/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeySVEDNEPGHYUNFB-LLVKDONJSA-N
XLogP2.64
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 7565223
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 78806700
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51574808
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 8809411

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 8882715) is N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is SVEDNEPGHYUNFB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15NO5/c1-11(14-3-2-8-21-14)18-16(19)10-22-13-6-4-12-5-7-17(20)23-15(12)9-13/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 313.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 8882715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).