N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

C17H21NO4 — CID 7699693

IUPACN-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CC)ccc12
InChIInChI=1S/C17H21NO4/c1-4-11(3)18-16(19)10-21-13-6-7-14-12(5-2)8-17(20)22-15(14)9-13/h6-9,11H,4-5,10H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyBVIQUULHELOJBO-LLVKDONJSA-N
MW303.36 g/mol
LogP2.65
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 7699693) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID7699693
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CC)ccc12
InChIInChI=1S/C17H21NO4/c1-4-11(3)18-16(19)10-21-13-6-7-14-12(5-2)8-17(20)22-15(14)9-13/h6-9,11H,4-5,10H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyBVIQUULHELOJBO-LLVKDONJSA-N
XLogP2.65
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.65
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

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 7699880
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 46676212
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 171915665
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (CID 7699693) is N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is CCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CC)ccc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is BVIQUULHELOJBO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-11(3)18-16(19)10-21-13-6-7-14-12(5-2)8-17(20)22-15(14)9-13/h6-9,11H,4-5,10H2,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 303.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 7699693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).