2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide

C21H21NO4 — CID 18202496

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NC(C)c3ccccc3)ccc12
InChIInChI=1S/C21H21NO4/c1-13-11-20(24)26-21-14(2)18(10-9-17(13)21)25-12-19(23)22-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,22,23)
InChIKeyORCMVNUDEWYPNS-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.67
Rot. Bonds5

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide (PubChem CID 18202496) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
PubChem CID18202496
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NC(C)c3ccccc3)ccc12
InChIInChI=1S/C21H21NO4/c1-13-11-20(24)26-21-14(2)18(10-9-17(13)21)25-12-19(23)22-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,22,23)
InChIKeyORCMVNUDEWYPNS-UHFFFAOYSA-N
XLogP3.67
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 18202507
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 8563812
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8563690
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 8563913
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-octan-2-yl]acetamide
CID 8564343
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
CID 8563687
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3731948
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
(2R)-2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
CID 44667762
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 4838441

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide (CID 18202496) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide is Cc1cc(=O)oc2c(C)c(OCC(=O)NC(C)c3ccccc3)ccc12.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide?
The InChIKey is ORCMVNUDEWYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-13-11-20(24)26-21-14(2)18(10-9-17(13)21)25-12-19(23)22-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide has a molecular weight of 351.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18202496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).