N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide

C26H23NO3 — CID 42785956

IUPACN-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
SMILESCc1ccc2occ(CN(Cc3ccccc3)C(=O)c3ccccc3C)c(=O)c2c1
InChIInChI=1S/C26H23NO3/c1-18-12-13-24-23(14-18)25(28)21(17-30-24)16-27(15-20-9-4-3-5-10-20)26(29)22-11-7-6-8-19(22)2/h3-14,17H,15-16H2,1-2H3
InChIKeyFQBSOHACNPGWSU-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.25
Rot. Bonds5

About N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide

N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide (PubChem CID 42785956) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
PubChem CID42785956
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC NameN-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
SMILESCc1ccc2occ(CN(Cc3ccccc3)C(=O)c3ccccc3C)c(=O)c2c1
InChIInChI=1S/C26H23NO3/c1-18-12-13-24-23(14-18)25(28)21(17-30-24)16-27(15-20-9-4-3-5-10-20)26(29)22-11-7-6-8-19(22)2/h3-14,17H,15-16H2,1-2H3
InChIKeyFQBSOHACNPGWSU-UHFFFAOYSA-N
XLogP5.25
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-chloro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044640
N-benzyl-4-fluoro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044638
N-benzyl-4-chloro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044642
N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide
CID 42785941
N-benzyl-4-butoxy-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785964
ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate
CID 3925779
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-butyl-2,4-dichlorobenzamide
CID 42786276
1-benzyl-1-[(6-methyl-4-oxochromen-3-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4013344
N-benzyl-2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide
CID 4278946
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-(2-methoxyethyl)benzamide
CID 4052081
N-benzyl-2-[(2-chloroacetyl)-prop-2-enylamino]-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide
CID 4302409
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 42786292

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide?
The IUPAC name of N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide (CID 42785956) is N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide is Cc1ccc2occ(CN(Cc3ccccc3)C(=O)c3ccccc3C)c(=O)c2c1.
What is the InChIKey of N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide?
The InChIKey is FQBSOHACNPGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-18-12-13-24-23(14-18)25(28)21(17-30-24)16-27(15-20-9-4-3-5-10-20)26(29)22-11-7-6-8-19(22)2/h3-14,17H,15-16H2,1-2H3.
What are the key properties of N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide?
N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide has a molecular weight of 397.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide is sourced from PubChem (CID 42785956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).