N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C15H15NO4 — CID 2571495

IUPACN-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NC3CC3)ccc12
InChIInChI=1S/C15H15NO4/c1-9-6-15(18)20-13-7-11(4-5-12(9)13)19-8-14(17)16-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,16,17)
InChIKeyORBLKOHNMIOYDS-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.76
Rot. Bonds4

About N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 2571495) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID2571495
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NC3CC3)ccc12
InChIInChI=1S/C15H15NO4/c1-9-6-15(18)20-13-7-11(4-5-12(9)13)19-8-14(17)16-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,16,17)
InChIKeyORBLKOHNMIOYDS-UHFFFAOYSA-N
XLogP1.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.76
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-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26003137
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17447722
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2445277
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919810
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
CID 7943426
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97489059

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 2571495) is N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)NC3CC3)ccc12.
What is the InChIKey of N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is ORBLKOHNMIOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-6-15(18)20-13-7-11(4-5-12(9)13)19-8-14(17)16-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 273.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2571495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).