N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide

C19H21N3O3 — CID 144622706

IUPACN-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide
SMILESC=C/N=C(\C=C)CNC(=O)c1cc2ccc(N(C)CC)cc2oc1=O
InChIInChI=1S/C19H21N3O3/c1-5-14(20-6-2)12-21-18(23)16-10-13-8-9-15(22(4)7-3)11-17(13)25-19(16)24/h5-6,8-11H,1-2,7,12H2,3-4H3,(H,21,23)/b20-14+
InChIKeyIGINYZSWRIQRRE-XSFVSMFZSA-N
MW339.40 g/mol
LogP2.75
Rot. Bonds7

About N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide

N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide (PubChem CID 144622706) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide
PubChem CID144622706
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide
SMILESC=C/N=C(\C=C)CNC(=O)c1cc2ccc(N(C)CC)cc2oc1=O
InChIInChI=1S/C19H21N3O3/c1-5-14(20-6-2)12-21-18(23)16-10-13-8-9-15(22(4)7-3)11-17(13)25-19(16)24/h5-6,8-11H,1-2,7,12H2,3-4H3,(H,21,23)/b20-14+
InChIKeyIGINYZSWRIQRRE-XSFVSMFZSA-N
XLogP2.75
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-(diethylamino)-N-[2-(hexanoylamino)ethyl]-2-oxochromene-3-carboxamide
CID 146294501
7-[ethyl(methyl)amino]-3-(2-oxopropyliminomethyl)chromen-2-one
CID 158461464
N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 177467285
7-(diethylamino)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]chromene-3-carboxamide
CID 3231416
7-(diethylamino)-N-[5-(methylamino)-6-oxoheptyl]-2-oxochromene-3-carboxamide
CID 58473750
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-[ethyl(methyl)amino]chromen-2-one
CID 154538334
7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide
CID 54453751
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
4-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]butyl dihydrogen phosphate
CID 25193373
N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide (CID 144622706) is N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide is C=C/N=C(\C=C)CNC(=O)c1cc2ccc(N(C)CC)cc2oc1=O.
What is the InChIKey of N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide?
The InChIKey is IGINYZSWRIQRRE-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-5-14(20-6-2)12-21-18(23)16-10-13-8-9-15(22(4)7-3)11-17(13)25-19(16)24/h5-6,8-11H,1-2,7,12H2,3-4H3,(H,21,23)/b20-14+.
What are the key properties of N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide?
N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyliminobut-3-enyl)-7-[ethyl(methyl)amino]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 144622706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).