N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide

C18H15N5O3 — CID 155280774

IUPACN-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnc2ccccc21)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15N5O3/c1-11(2)22(18(26)21-15-10-6-5-9-14(15)19-20-21)23-16(24)12-7-3-4-8-13(12)17(23)25/h3-11H,1-2H3
InChIKeyXWUCFDBHOALEDP-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.32
Rot. Bonds2

About N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide

N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide (PubChem CID 155280774) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide
PubChem CID155280774
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnc2ccccc21)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15N5O3/c1-11(2)22(18(26)21-15-10-6-5-9-14(15)19-20-21)23-16(24)12-7-3-4-8-13(12)17(23)25/h3-11H,1-2H3
InChIKeyXWUCFDBHOALEDP-UHFFFAOYSA-N
XLogP2.32
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-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

2-[1-(benzotriazol-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 4827047
6-[3-[[benzotriazole-1-carbonyl-(1,3-dioxoisoindol-2-yl)amino]methyl]phenyl]-N-(1,3-dioxoisoindol-2-yl)-N-methylbenzotriazole-1-carboxamide
CID 155280788
N-ethyl-N-phenylbenzotriazole-1-carboxamide
CID 66688521
(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
(4S)-4-(benzotriazole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400855
benzotriazol-1-yl-[4-(2-methylpropoxy)phenyl]methanone
CID 4937009
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
CID 690503
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
benzotriazol-1-yl-(4-methylcyclohexyl)methanone
CID 26794170
2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 3770861
benzotriazol-1-yl N-(3-amino-3-oxopropyl)-N-(1,3-dioxoisoindol-2-yl)carbamate
CID 155638403

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide (CID 155280774) is N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide is CC(C)N(C(=O)n1nnc2ccccc21)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide?
The InChIKey is XWUCFDBHOALEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-11(2)22(18(26)21-15-10-6-5-9-14(15)19-20-21)23-16(24)12-7-3-4-8-13(12)17(23)25/h3-11H,1-2H3.
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide?
N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide is sourced from PubChem (CID 155280774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).