N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

C21H21N3O5 — CID 108540233

IUPACN-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(=O)NCCNC(=O)c3cccc(O)c3)cc2C1=O
InChIInChI=1S/C21H21N3O5/c1-12(2)24-20(28)16-7-6-14(11-17(16)21(24)29)19(27)23-9-8-22-18(26)13-4-3-5-15(25)10-13/h3-7,10-12,25H,8-9H2,1-2H3,(H,22,26)(H,23,27)
InChIKeySVGBPHZACCOKDH-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.56
Rot. Bonds6

About N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (PubChem CID 108540233) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
PubChem CID108540233
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(=O)NCCNC(=O)c3cccc(O)c3)cc2C1=O
InChIInChI=1S/C21H21N3O5/c1-12(2)24-20(28)16-7-6-14(11-17(16)21(24)29)19(27)23-9-8-22-18(26)13-4-3-5-15(25)10-13/h3-7,10-12,25H,8-9H2,1-2H3,(H,22,26)(H,23,27)
InChIKeySVGBPHZACCOKDH-UHFFFAOYSA-N
XLogP1.56
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108571800
N-[2-[(2-methylbenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108540227
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108537808
phenyl N-[2-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]ethyl]carbamate
CID 108571775
N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108538038
N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108571762
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108540184
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 82041242
1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
CID 108926281
1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane
CID 145140796
1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
CID 108925509

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The IUPAC name of N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (CID 108540233) is N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The canonical SMILES for N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is CC(C)N1C(=O)c2ccc(C(=O)NCCNC(=O)c3cccc(O)c3)cc2C1=O.
What is the InChIKey of N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The InChIKey is SVGBPHZACCOKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-12(2)24-20(28)16-7-6-14(11-17(16)21(24)29)19(27)23-9-8-22-18(26)13-4-3-5-15(25)10-13/h3-7,10-12,25H,8-9H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 108540233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).