(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide

C18H15NO4 — CID 7564455

IUPAC(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
SMILESC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H15NO4/c1-12(18(21)19-14-5-3-2-4-6-14)22-15-9-7-13-8-10-17(20)23-16(13)11-15/h2-12H,1H3,(H,19,21)/t12-/m0/s1
InChIKeyRWEMCZVTOGNQDH-LBPRGKRZSA-N
MW309.32 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide

(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide (PubChem CID 7564455) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
PubChem CID7564455
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
SMILESC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H15NO4/c1-12(18(21)19-14-5-3-2-4-6-14)22-15-9-7-13-8-10-17(20)23-16(13)11-15/h2-12H,1H3,(H,19,21)/t12-/m0/s1
InChIKeyRWEMCZVTOGNQDH-LBPRGKRZSA-N
XLogP3.20
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.20
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

(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
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
2-(2-oxochromen-7-yl)oxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 171910069
(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 7233639
(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7290728
N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 16504572
2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide
CID 171915892
(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 905948
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
CID 55978454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide?
The IUPAC name of (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide (CID 7564455) is (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide is C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide?
The InChIKey is RWEMCZVTOGNQDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15NO4/c1-12(18(21)19-14-5-3-2-4-6-14)22-15-9-7-13-8-10-17(20)23-16(13)11-15/h2-12H,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide?
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide has a molecular weight of 309.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide is sourced from PubChem (CID 7564455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).