N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide

C24H19NO3 — CID 12005263

IUPACN-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H19NO3/c1-25(16-17-10-4-2-5-11-17)23(26)22-21(18-12-6-3-7-13-18)19-14-8-9-15-20(19)24(27)28-22/h2-15H,16H2,1H3
InChIKeyVCJJYHITHOZQBE-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.73
Rot. Bonds4

About N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide

N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide (PubChem CID 12005263) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide
PubChem CID12005263
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC NameN-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H19NO3/c1-25(16-17-10-4-2-5-11-17)23(26)22-21(18-12-6-3-7-13-18)19-14-8-9-15-20(19)24(27)28-22/h2-15H,16H2,1H3
InChIKeyVCJJYHITHOZQBE-UHFFFAOYSA-N
XLogP4.73
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxo-N,4-diphenyl-N-prop-2-enylisochromene-3-carboxamide
CID 20866211
N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680851
N-benzyl-N-methyl-4-oxochromene-2-carboxamide
CID 4056065
N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4069125
N-butyl-4-(4-methylphenyl)-1-oxo-N-phenylisochromene-3-carboxamide
CID 20866224
N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4660207
N-(3,3-diethoxypropyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 126479967
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-benzyl-N,4,5-trimethylfuran-2-carboxamide
CID 110697616
4-phenyl-3-propan-2-ylisochromen-1-one
CID 123749566
N-[3-(diethylamino)propyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4531459

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide (CID 12005263) is N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide is CN(Cc1ccccc1)C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide?
The InChIKey is VCJJYHITHOZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-25(16-17-10-4-2-5-11-17)23(26)22-21(18-12-6-3-7-13-18)19-14-8-9-15-20(19)24(27)28-22/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide?
N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide is sourced from PubChem (CID 12005263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).