2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide

C25H20N6O3 — CID 55780672

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H20N6O3/c1-16-11-12-18(30-15-26-28-29-30)14-21(16)27-23(32)22(13-17-7-3-2-4-8-17)31-24(33)19-9-5-6-10-20(19)25(31)34/h2-12,14-15,22H,13H2,1H3,(H,27,32)
InChIKeyHLLKHPJOYABGLM-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.82
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide (PubChem CID 55780672) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide
PubChem CID55780672
Molecular FormulaC25H20N6O3
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H20N6O3/c1-16-11-12-18(30-15-26-28-29-30)14-21(16)27-23(32)22(13-17-7-3-2-4-8-17)31-24(33)19-9-5-6-10-20(19)25(31)34/h2-12,14-15,22H,13H2,1H3,(H,27,32)
InChIKeyHLLKHPJOYABGLM-UHFFFAOYSA-N
XLogP2.82
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 3313078
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2,5-dimethylphenyl)-3-phenylpropanamide
CID 1341132
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 2787785
1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 124741341
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
(2R)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 985938
(2S)-N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanamide
CID 1050341
4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47039545
1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 119047495
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)-3-phenylpropanamide
CID 7067695

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide (CID 55780672) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide is Cc1ccc(-n2cnnn2)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide?
The InChIKey is HLLKHPJOYABGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c1-16-11-12-18(30-15-26-28-29-30)14-21(16)27-23(32)22(13-17-7-3-2-4-8-17)31-24(33)19-9-5-6-10-20(19)25(31)34/h2-12,14-15,22H,13H2,1H3,(H,27,32).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide has a molecular weight of 452.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 55780672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).