N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

C30H23N5O3 — CID 175436196

IUPACN-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESO=C(Nc1cccc2c1nnn2Cc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H23N5O3/c36-28(31-24-16-9-17-25-27(24)32-33-34(25)19-21-12-5-2-6-13-21)26(18-20-10-3-1-4-11-20)35-29(37)22-14-7-8-15-23(22)30(35)38/h1-17,26H,18-19H2,(H,31,36)
InChIKeyWNNUJAULESNENX-UHFFFAOYSA-N
MW501.55 g/mol
LogP4.33
Rot. Bonds7

About N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (PubChem CID 175436196) has the molecular formula C30H23N5O3 and a molecular weight of 501.55 g/mol. Its IUPAC name is N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
PubChem CID175436196
Molecular FormulaC30H23N5O3
Molecular Weight501.55 g/mol
Exact Mass501.18
IUPAC NameN-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESO=C(Nc1cccc2c1nnn2Cc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H23N5O3/c36-28(31-24-16-9-17-25-27(24)32-33-34(25)19-21-12-5-2-6-13-21)26(18-20-10-3-1-4-11-20)35-29(37)22-14-7-8-15-23(22)30(35)38/h1-17,26H,18-19H2,(H,31,36)
InChIKeyWNNUJAULESNENX-UHFFFAOYSA-N
XLogP4.33
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide 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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-yl-3-phenylpropanamide
CID 1342808
(2R)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 985938
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoic acid
CID 1272939
methyl 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 1112294
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 2591223
(2R)-N-(3,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1189000
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 2787785
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-phenylpropanamide
CID 1076059
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 4061095
N-[2-(3-chloropropanoylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 108571884
2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 55780672
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (CID 175436196) is N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is O=C(Nc1cccc2c1nnn2Cc1ccccc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The InChIKey is WNNUJAULESNENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O3/c36-28(31-24-16-9-17-25-27(24)32-33-34(25)19-21-12-5-2-6-13-21)26(18-20-10-3-1-4-11-20)35-29(37)22-14-7-8-15-23(22)30(35)38/h1-17,26H,18-19H2,(H,31,36).
What are the key properties of N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide has a molecular weight of 501.55 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzotriazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 175436196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).