N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C27H25NO3 — CID 108790185

IUPACN-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C27H25NO3/c1-3-4-5-19-7-13-22(14-8-19)28-27(30)21-11-9-20(10-12-21)26-17-24(29)23-16-18(2)6-15-25(23)31-26/h6-17H,3-5H2,1-2H3,(H,28,30)
InChIKeyKRZRSRMJHBYHRK-UHFFFAOYSA-N
MW411.50 g/mol
LogP6.36
Rot. Bonds6

About N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790185) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790185
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC NameN-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C27H25NO3/c1-3-4-5-19-7-13-22(14-8-19)28-27(30)21-11-9-20(10-12-21)26-17-24(29)23-16-18(2)6-15-25(23)31-26/h6-17H,3-5H2,1-2H3,(H,28,30)
InChIKeyKRZRSRMJHBYHRK-UHFFFAOYSA-N
XLogP6.36
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790344
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
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
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
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

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790185) is N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is CCCCc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is KRZRSRMJHBYHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-3-4-5-19-7-13-22(14-8-19)28-27(30)21-11-9-20(10-12-21)26-17-24(29)23-16-18(2)6-15-25(23)31-26/h6-17H,3-5H2,1-2H3,(H,28,30).
What are the key properties of N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).