N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide

C21H21NO5 — CID 7515619

IUPACN-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(/C=C2\COc3ccccc3C2=O)cc1OC
InChIInChI=1S/C21H21NO5/c1-3-22-20(23)13-27-18-9-8-14(11-19(18)25-2)10-15-12-26-17-7-5-4-6-16(17)21(15)24/h4-11H,3,12-13H2,1-2H3,(H,22,23)/b15-10+
InChIKeyLDHYSALIZHCBFY-XNTDXEJSSA-N
MW367.40 g/mol
LogP2.87
Rot. Bonds6

About N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide

N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide (PubChem CID 7515619) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide
PubChem CID7515619
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC NameN-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(/C=C2\COc3ccccc3C2=O)cc1OC
InChIInChI=1S/C21H21NO5/c1-3-22-20(23)13-27-18-9-8-14(11-19(18)25-2)10-15-12-26-17-7-5-4-6-16(17)21(15)24/h4-11H,3,12-13H2,1-2H3,(H,22,23)/b15-10+
InChIKeyLDHYSALIZHCBFY-XNTDXEJSSA-N
XLogP2.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2430743
Tcmdc-123621
CID 2400619
4-[3-(Tert-butylamino)-2-hydroxypropoxy]xanthen-9-one;hydrochloride
CID 145963485
[2-Oxo-2-(2-phenylethylamino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2356972
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2365487
[2-Oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 4086904
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 5106311
1'-[2-(4-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260606
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 9262818
[2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 16304169
[2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3-methylbenzoate
CID 16304693
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 24685868

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide (CID 7515619) is N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(/C=C2\COc3ccccc3C2=O)cc1OC.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide?
The InChIKey is LDHYSALIZHCBFY-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H21NO5/c1-3-22-20(23)13-27-18-9-8-14(11-19(18)25-2)10-15-12-26-17-7-5-4-6-16(17)21(15)24/h4-11H,3,12-13H2,1-2H3,(H,22,23)/b15-10+.
What are the key properties of N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide?
N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide has a molecular weight of 367.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 7515619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).