N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide

C15H17NO4 — CID 2705066

IUPACN-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC[C@H](C)NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H17NO4/c1-3-10(2)16-14(17)9-19-12-6-4-11-5-7-15(18)20-13(11)8-12/h4-8,10H,3,9H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyLSNWLSVQEHADHG-JTQLQIEISA-N
MW275.30 g/mol
LogP2.09
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2705066) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2705066
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC[C@H](C)NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H17NO4/c1-3-10(2)16-14(17)9-19-12-6-4-11-5-7-15(18)20-13(11)8-12/h4-8,10H,3,9H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyLSNWLSVQEHADHG-JTQLQIEISA-N
XLogP2.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882715
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 7565223
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882786
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
CID 40854125
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 78806700
2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8882835
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 2705066) is N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide is CC[C@H](C)NC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is LSNWLSVQEHADHG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-10(2)16-14(17)9-19-12-6-4-11-5-7-15(18)20-13(11)8-12/h4-8,10H,3,9H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 275.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2705066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).