2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide

C22H23NO4 — CID 4909677

IUPAC2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCC(C)c2ccccc2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C22H23NO4/c1-14-9-18(22-15(2)11-21(25)27-19(22)10-14)26-13-20(24)23-12-16(3)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,23,24)
InChIKeyIQLLLXIIDRWPEA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.71
Rot. Bonds6

About 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide

2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide (PubChem CID 4909677) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
PubChem CID4909677
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCC(C)c2ccccc2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C22H23NO4/c1-14-9-18(22-15(2)11-21(25)27-19(22)10-14)26-13-20(24)23-12-16(3)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,23,24)
InChIKeyIQLLLXIIDRWPEA-UHFFFAOYSA-N
XLogP3.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.71
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-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4870875
2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 4562834
N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4901462
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
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
N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4972127
2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724
(4,7-dimethyl-2-oxochromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 3489508
N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
CID 1300109
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
CID 4905395
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide (CID 4909677) is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide is Cc1cc(OCC(=O)NCC(C)c2ccccc2)c2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide?
The InChIKey is IQLLLXIIDRWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14-9-18(22-15(2)11-21(25)27-19(22)10-14)26-13-20(24)23-12-16(3)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,23,24).
What are the key properties of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide?
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 4909677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).