7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide

C26H25N3O3 — CID 997823

IUPAC7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(Oc4ccccc4)cc3)oc2c1
InChIInChI=1S/C26H25N3O3/c1-3-29(4-2)20-13-10-18-16-23(25(27)30)26(32-24(18)17-20)28-19-11-14-22(15-12-19)31-21-8-6-5-7-9-21/h5-17H,3-4H2,1-2H3,(H2,27,30)/b28-26-
InChIKeyMRHIBNVHSZVNCX-SGEDCAFJSA-N
MW427.50 g/mol
LogP5.40
Rot. Bonds7

About 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide

7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide (PubChem CID 997823) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide
PubChem CID997823
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(Oc4ccccc4)cc3)oc2c1
InChIInChI=1S/C26H25N3O3/c1-3-29(4-2)20-13-10-18-16-23(25(27)30)26(32-24(18)17-20)28-19-11-14-22(15-12-19)31-21-8-6-5-7-9-21/h5-17H,3-4H2,1-2H3,(H2,27,30)/b28-26-
InChIKeyMRHIBNVHSZVNCX-SGEDCAFJSA-N
XLogP5.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-2-(thieno[3,2-b]thiophene-5-carbonylhydrazinylidene)chromene-3-carboxamide
CID 171152177
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
7-(diethylamino)-2-[(4-thiophen-3-ylbenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 171152179
2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide
CID 135631684
6-bromo-2-phenyliminochromene-3-carboxamide
CID 747316
[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
CID 11551551
N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-7-(diethylamino)chromene-3-carboxamide
CID 2316813
N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
CID 5452614
N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide
CID 101427857
7-hydroxy-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 135456842

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide (CID 997823) is 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(Oc4ccccc4)cc3)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide?
The InChIKey is MRHIBNVHSZVNCX-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-3-29(4-2)20-13-10-18-16-23(25(27)30)26(32-24(18)17-20)28-19-11-14-22(15-12-19)31-21-8-6-5-7-9-21/h5-17H,3-4H2,1-2H3,(H2,27,30)/b28-26-.
What are the key properties of 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide?
7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 997823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).