(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide

C13H12N2O5 — CID 7233690

IUPAC(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
SMILESC[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC(N)=O
InChIInChI=1S/C13H12N2O5/c1-7(12(17)15-13(14)18)19-9-4-2-8-3-5-11(16)20-10(8)6-9/h2-7H,1H3,(H3,14,15,17,18)/t7-/m1/s1
InChIKeyILWZCVVDUCGPNR-SSDOTTSWSA-N
MW276.25 g/mol
LogP0.76
Rot. Bonds3

About (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide

(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide (PubChem CID 7233690) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
PubChem CID7233690
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
SMILESC[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC(N)=O
InChIInChI=1S/C13H12N2O5/c1-7(12(17)15-13(14)18)19-9-4-2-8-3-5-11(16)20-10(8)6-9/h2-7H,1H3,(H3,14,15,17,18)/t7-/m1/s1
InChIKeyILWZCVVDUCGPNR-SSDOTTSWSA-N
XLogP0.76
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7290728
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 171910069
(2-oxochromen-7-yl) (2S)-2-(3-methylphenoxy)propanoate
CID 7920894
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
(2-oxochromen-7-yl) 2-(4-cyanophenoxy)propanoate
CID 16550575

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide (CID 7233690) is (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide is C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide?
The InChIKey is ILWZCVVDUCGPNR-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-7(12(17)15-13(14)18)19-9-4-2-8-3-5-11(16)20-10(8)6-9/h2-7H,1H3,(H3,14,15,17,18)/t7-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide?
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide has a molecular weight of 276.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 7233690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).