2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C22H21F3N2O4 — CID 27219969

IUPAC2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C22H21F3N2O4/c1-3-27(13-20(28)26-18-7-5-4-6-17(18)22(23,24)25)12-14-10-21(29)31-19-11-15(30-2)8-9-16(14)19/h4-11H,3,12-13H2,1-2H3,(H,26,28)
InChIKeySUKCPDZXWGMGRS-UHFFFAOYSA-N
MW434.41 g/mol
LogP4.28
Rot. Bonds7

About 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 27219969) has the molecular formula C22H21F3N2O4 and a molecular weight of 434.41 g/mol. Its IUPAC name is 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID27219969
Molecular FormulaC22H21F3N2O4
Molecular Weight434.41 g/mol
Exact Mass434.15
IUPAC Name2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C22H21F3N2O4/c1-3-27(13-20(28)26-18-7-5-4-6-17(18)22(23,24)25)12-14-10-21(29)31-19-11-15(30-2)8-9-16(14)19/h4-11H,3,12-13H2,1-2H3,(H,26,28)
InChIKeySUKCPDZXWGMGRS-UHFFFAOYSA-N
XLogP4.28
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]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-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203
N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9303635
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201156
2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9025576
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
2-[ethyl-[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24566061
2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168558
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8924997
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 27219969) is 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)oc2cc(OC)ccc12.
What is the InChIKey of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SUKCPDZXWGMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O4/c1-3-27(13-20(28)26-18-7-5-4-6-17(18)22(23,24)25)12-14-10-21(29)31-19-11-15(30-2)8-9-16(14)19/h4-11H,3,12-13H2,1-2H3,(H,26,28).
What are the key properties of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 434.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 27219969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).