7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide

C21H23N3O3 — CID 5134370

IUPAC7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=NO)oc2c1
InChIInChI=1S/C21H23N3O3/c1-4-24(5-2)17-11-8-15-12-18(21(23-26)27-19(15)13-17)20(25)22-16-9-6-14(3)7-10-16/h6-13,26H,4-5H2,1-3H3,(H,22,25)
InChIKeyCIRBKLHCEYISPD-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.13
Rot. Bonds5

About 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide

7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide (PubChem CID 5134370) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide
PubChem CID5134370
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=NO)oc2c1
InChIInChI=1S/C21H23N3O3/c1-4-24(5-2)17-11-8-15-12-18(21(23-26)27-19(15)13-17)20(25)22-16-9-6-14(3)7-10-16/h6-13,26H,4-5H2,1-3H3,(H,22,25)
InChIKeyCIRBKLHCEYISPD-UHFFFAOYSA-N
XLogP4.13
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-7-(diethylamino)chromene-3-carboxamide
CID 2316813
N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672
N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 17373653
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide
CID 39122388
2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
CID 4313217
N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 1152121
7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 40621529
N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 177467285
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide (CID 5134370) is 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=NO)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide?
The InChIKey is CIRBKLHCEYISPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24(5-2)17-11-8-15-12-18(21(23-26)27-19(15)13-17)20(25)22-16-9-6-14(3)7-10-16/h6-13,26H,4-5H2,1-3H3,(H,22,25).
What are the key properties of 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide?
7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 5134370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).