N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide

C26H23NO3 — CID 27829025

IUPACN,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1
InChIInChI=1S/C26H23NO3/c1-17-12-14-19(15-13-17)16-27(3)26(29)22-11-7-10-21-23(28)18(2)24(30-25(21)22)20-8-5-4-6-9-20/h4-15H,16H2,1-3H3
InChIKeyOVEYLFOUYUYOFV-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.35
Rot. Bonds4

About N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide

N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 27829025) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID27829025
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC NameN,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1
InChIInChI=1S/C26H23NO3/c1-17-12-14-19(15-13-17)16-27(3)26(29)22-11-7-10-21-23(28)18(2)24(30-25(21)22)20-8-5-4-6-9-20/h4-15H,16H2,1-3H3
InChIKeyOVEYLFOUYUYOFV-UHFFFAOYSA-N
XLogP5.35
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N,3-dimethyl-4-oxo-2-phenylchromene-8-carboxamide
CID 17450820
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 26192057
N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethyl-4-oxo-2-phenylchromene-8-carboxamide
CID 27839320
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505437
N,3-dimethyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylchromene-8-carboxamide
CID 135887584
N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide
CID 13476713
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 167935390

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide (CID 27829025) is N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide is Cc1ccc(CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1.
What is the InChIKey of N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is OVEYLFOUYUYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-17-12-14-19(15-13-17)16-27(3)26(29)22-11-7-10-21-23(28)18(2)24(30-25(21)22)20-8-5-4-6-9-20/h4-15H,16H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide?
N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 27829025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).