(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate

C21H19NO5 — CID 30112317

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
SMILESCc1ccc2c(COC(=O)CNC(=O)Cc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C21H19NO5/c1-14-7-8-17-16(11-20(24)27-18(17)9-14)13-26-21(25)12-22-19(23)10-15-5-3-2-4-6-15/h2-9,11H,10,12-13H2,1H3,(H,22,23)
InChIKeyYKRZJJRUNHJKQI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.50
Rot. Bonds6

About (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate

(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate (PubChem CID 30112317) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
PubChem CID30112317
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
SMILESCc1ccc2c(COC(=O)CNC(=O)Cc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C21H19NO5/c1-14-7-8-17-16(11-20(24)27-18(17)9-14)13-26-21(25)12-22-19(23)10-15-5-3-2-4-6-15/h2-9,11H,10,12-13H2,1H3,(H,22,23)
InChIKeyYKRZJJRUNHJKQI-UHFFFAOYSA-N
XLogP2.50
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
CID 41180238
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-nitrophenyl)acetate
CID 3310308
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435
(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524489
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethylbenzoate
CID 2629840
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414844
(7-hydroxy-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848206
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenoxy)acetate
CID 5172794
(7-methyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 41148930
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2402062

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate (CID 30112317) is (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate is Cc1ccc2c(COC(=O)CNC(=O)Cc3ccccc3)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is YKRZJJRUNHJKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-14-7-8-17-16(11-20(24)27-18(17)9-14)13-26-21(25)12-22-19(23)10-15-5-3-2-4-6-15/h2-9,11H,10,12-13H2,1H3,(H,22,23).
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate?
(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 365.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 30112317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).