N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

C22H22N2O5 — CID 8636135

IUPACN-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESCCCCNC(=O)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C22H22N2O5/c1-2-3-11-23-22(27)24-20(25)14-28-16-9-10-17-18(15-7-5-4-6-8-15)13-21(26)29-19(17)12-16/h4-10,12-13H,2-3,11,14H2,1H3,(H2,23,24,25,27)
InChIKeyFXWGSUPRAHWCPP-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.46
Rot. Bonds7

About N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (PubChem CID 8636135) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
PubChem CID8636135
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESCCCCNC(=O)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C22H22N2O5/c1-2-3-11-23-22(27)24-20(25)14-28-16-9-10-17-18(15-7-5-4-6-8-15)13-21(26)29-19(17)12-16/h4-10,12-13H,2-3,11,14H2,1H3,(H2,23,24,25,27)
InChIKeyFXWGSUPRAHWCPP-UHFFFAOYSA-N
XLogP3.46
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
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
7-ethoxy-4-phenylchromen-2-one
CID 678937
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
4-[[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 3337153

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (CID 8636135) is N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is CCCCNC(=O)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The InChIKey is FXWGSUPRAHWCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-2-3-11-23-22(27)24-20(25)14-28-16-9-10-17-18(15-7-5-4-6-8-15)13-21(26)29-19(17)12-16/h4-10,12-13H,2-3,11,14H2,1H3,(H2,23,24,25,27).
What are the key properties of N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide has a molecular weight of 394.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 8636135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).