1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide

C26H23NO3 — CID 4073647

IUPAC1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H23NO3/c1-2-20(17-18-11-5-3-6-12-18)27-25(28)24-23(19-13-7-4-8-14-19)21-15-9-10-16-22(21)26(29)30-24/h3-16,20H,2,17H2,1H3,(H,27,28)
InChIKeyZNTKDXUYYJUOFX-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.21
Rot. Bonds6

About 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide

1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide (PubChem CID 4073647) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide.

Molecular Properties

Compound Name1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide
PubChem CID4073647
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H23NO3/c1-2-20(17-18-11-5-3-6-12-18)27-25(28)24-23(19-13-7-4-8-14-19)21-15-9-10-16-22(21)26(29)30-24/h3-16,20H,2,17H2,1H3,(H,27,28)
InChIKeyZNTKDXUYYJUOFX-UHFFFAOYSA-N
XLogP5.21
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4069125
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide
CID 12005263
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4660207
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
3-amino-4-oxo-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 54308046
N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 20854042
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326

Frequently Asked Questions

What is the IUPAC name of 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide?
The IUPAC name of 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide (CID 4073647) is 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide.
What is the SMILES notation for 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide?
The canonical SMILES for 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide is CCC(Cc1ccccc1)NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide?
The InChIKey is ZNTKDXUYYJUOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-2-20(17-18-11-5-3-6-12-18)27-25(28)24-23(19-13-7-4-8-14-19)21-15-9-10-16-22(21)26(29)30-24/h3-16,20H,2,17H2,1H3,(H,27,28).
What are the key properties of 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide?
1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide is sourced from PubChem (CID 4073647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).