N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

C22H23NO3 — CID 108787059

IUPACN-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)NC(C)(C)C)cc3)cc(=O)c2c1
InChIInChI=1S/C22H23NO3/c1-13-10-14(2)20-17(11-13)18(24)12-19(26-20)15-6-8-16(9-7-15)21(25)23-22(3,4)5/h6-12H,1-5H3,(H,23,25)
InChIKeyYRBSLMBQOQNUFM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.61
Rot. Bonds2

About N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (PubChem CID 108787059) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
PubChem CID108787059
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)NC(C)(C)C)cc3)cc(=O)c2c1
InChIInChI=1S/C22H23NO3/c1-13-10-14(2)20-17(11-13)18(24)12-19(26-20)15-6-8-16(9-7-15)21(25)23-22(3,4)5/h6-12H,1-5H3,(H,23,25)
InChIKeyYRBSLMBQOQNUFM-UHFFFAOYSA-N
XLogP4.61
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787054
N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799914
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787093
N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787133
2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 108787076

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (CID 108787059) is N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is Cc1cc(C)c2oc(-c3ccc(C(=O)NC(C)(C)C)cc3)cc(=O)c2c1.
What is the InChIKey of N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The InChIKey is YRBSLMBQOQNUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-13-10-14(2)20-17(11-13)18(24)12-19(26-20)15-6-8-16(9-7-15)21(25)23-22(3,4)5/h6-12H,1-5H3,(H,23,25).
What are the key properties of N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108787059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).