N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C27H25NO4 — CID 27448091

IUPACN-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC(C)(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C27H25NO4/c1-19-15-26(30)32-24-16-22(13-14-23(19)24)31-17-25(29)28-18-27(2,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,17-18H2,1-2H3,(H,28,29)
InChIKeyZCOHWDSSQRZCHQ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.60
Rot. Bonds7

About N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 27448091) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID27448091
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC NameN-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC(C)(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C27H25NO4/c1-19-15-26(30)32-24-16-22(13-14-23(19)24)31-17-25(29)28-18-27(2,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,17-18H2,1-2H3,(H,28,29)
InChIKeyZCOHWDSSQRZCHQ-UHFFFAOYSA-N
XLogP4.60
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.60
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

N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
CID 51808687
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26752508
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412335
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 27448091) is N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)NCC(C)(c3ccccc3)c3ccccc3)ccc12.
What is the InChIKey of N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is ZCOHWDSSQRZCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-19-15-26(30)32-24-16-22(13-14-23(19)24)31-17-25(29)28-18-27(2,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,17-18H2,1-2H3,(H,28,29).
What are the key properties of N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 427.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 27448091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).