N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide

C27H26N2O3 — CID 108790344

IUPACN-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-4-29(5-2)22-13-11-21(12-14-22)28-27(31)20-9-7-19(8-10-20)26-17-24(30)23-16-18(3)6-15-25(23)32-26/h6-17H,4-5H2,1-3H3,(H,28,31)
InChIKeyLJAITIXIQPDCLL-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.87
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790344) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790344
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-4-29(5-2)22-13-11-21(12-14-22)28-27(31)20-9-7-19(8-10-20)26-17-24(30)23-16-18(3)6-15-25(23)32-26/h6-17H,4-5H2,1-3H3,(H,28,31)
InChIKeyLJAITIXIQPDCLL-UHFFFAOYSA-N
XLogP5.87
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
4-(6-methyl-4-oxochromen-2-yl)-N-(3-nitrophenyl)benzamide
CID 108803167
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790344) is N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is LJAITIXIQPDCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-4-29(5-2)22-13-11-21(12-14-22)28-27(31)20-9-7-19(8-10-20)26-17-24(30)23-16-18(3)6-15-25(23)32-26/h6-17H,4-5H2,1-3H3,(H,28,31).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).