N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide

C22H21N3O2 — CID 101427857

IUPACN-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide
SMILESCCN(CC)c1ccc2cc(C#N)/c(=N/C(=O)Cc3ccccc3)oc2c1
InChIInChI=1S/C22H21N3O2/c1-3-25(4-2)19-11-10-17-13-18(15-23)22(27-20(17)14-19)24-21(26)12-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12H2,1-2H3/b24-22-
InChIKeyRVGZLXCHIZWUSU-GYHWCHFESA-N
MW359.43 g/mol
LogP3.82
Rot. Bonds5

About N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide

N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide (PubChem CID 101427857) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide
PubChem CID101427857
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide
SMILESCCN(CC)c1ccc2cc(C#N)/c(=N/C(=O)Cc3ccccc3)oc2c1
InChIInChI=1S/C22H21N3O2/c1-3-25(4-2)19-11-10-17-13-18(15-23)22(27-20(17)14-19)24-21(26)12-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12H2,1-2H3/b24-22-
InChIKeyRVGZLXCHIZWUSU-GYHWCHFESA-N
XLogP3.82
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyronine B
CID 16524
N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
CID 122042
Tetramethylrosamine
CID 2762681
Zinc00236161
CID 614607
3-(4-Aminophenyl)-7-(diethylamino)-4-methylchromen-2-one
CID 659315
Rosamine
CID 2762680
N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide
CID 155169563
Xanthylium, 9-(2-carboxyethyl)-3,6-bis(dimethylamino)-, chloride (1:1)
CID 65189
3-Benzoyl-7-(diethylamino)chromen-2-one
CID 4082687
7-(Diethylamino)-3-phenyl-2H-chromen-2-one
CID 688943
Tetramethylrhodamine
CID 9952143
2H-1-Benzopyran-3-carboxamide, 7-(diethylamino)-2-imino-
CID 395945

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide?
The IUPAC name of N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide (CID 101427857) is N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide.
What is the SMILES notation for N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide?
The canonical SMILES for N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide is CCN(CC)c1ccc2cc(C#N)/c(=N/C(=O)Cc3ccccc3)oc2c1.
What is the InChIKey of N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide?
The InChIKey is RVGZLXCHIZWUSU-GYHWCHFESA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-25(4-2)19-11-10-17-13-18(15-23)22(27-20(17)14-19)24-21(26)12-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12H2,1-2H3/b24-22-.
What are the key properties of N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide?
N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide has a molecular weight of 359.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-7-(diethylamino)chromen-2-ylidene]-2-phenylacetamide is sourced from PubChem (CID 101427857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).