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

C22H23FN2O4 — CID 27201156

IUPAC2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C22H23FN2O4/c1-3-25(14-21(26)24-12-15-4-6-17(23)7-5-15)13-16-10-22(27)29-20-11-18(28-2)8-9-19(16)20/h4-11H,3,12-14H2,1-2H3,(H,24,26)
InChIKeyKZTVSAGXZNXKCJ-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.08
Rot. Bonds8

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

2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 27201156) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID27201156
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C22H23FN2O4/c1-3-25(14-21(26)24-12-15-4-6-17(23)7-5-15)13-16-10-22(27)29-20-11-18(28-2)8-9-19(16)20/h4-11H,3,12-14H2,1-2H3,(H,24,26)
InChIKeyKZTVSAGXZNXKCJ-UHFFFAOYSA-N
XLogP3.08
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203
2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201171
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-[2-(trifluoromethyl)phenyl]acetamide
CID 27219969
N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433163
N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9252835
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9025576
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8960631
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26511026

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 27201156) is 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)oc2cc(OC)ccc12.
What is the InChIKey of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is KZTVSAGXZNXKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-3-25(14-21(26)24-12-15-4-6-17(23)7-5-15)13-16-10-22(27)29-20-11-18(28-2)8-9-19(16)20/h4-11H,3,12-14H2,1-2H3,(H,24,26).
What are the key properties of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 398.43 g/mol, XLogP of 3.08, 8 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 27201156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).