N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide

C20H18N2O5 — CID 8806134

IUPACN-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
SMILESCNC(=O)CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H18N2O5/c1-21-18(23)11-22-19(24)12-26-14-7-8-15-16(13-5-3-2-4-6-13)10-20(25)27-17(15)9-14/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyNUIJIDRRBHWCGK-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.70
Rot. Bonds6

About N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide

N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide (PubChem CID 8806134) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
PubChem CID8806134
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
SMILESCNC(=O)CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H18N2O5/c1-21-18(23)11-22-19(24)12-26-14-7-8-15-16(13-5-3-2-4-6-13)10-20(25)27-17(15)9-14/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyNUIJIDRRBHWCGK-UHFFFAOYSA-N
XLogP1.70
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.70
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

(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 8951439
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
4-[[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 3337153
N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 7633718
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
(2S)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 1194304
tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide?
The IUPAC name of N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide (CID 8806134) is N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide is CNC(=O)CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide?
The InChIKey is NUIJIDRRBHWCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-21-18(23)11-22-19(24)12-26-14-7-8-15-16(13-5-3-2-4-6-13)10-20(25)27-17(15)9-14/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide?
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide has a molecular weight of 366.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide is sourced from PubChem (CID 8806134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).