2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide

C24H25N3O5 — CID 108540023

IUPAC2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C24H25N3O5/c28-20-9-5-4-8-18(20)22(30)26-13-12-25-21(29)15-10-11-17-19(14-15)24(32)27(23(17)31)16-6-2-1-3-7-16/h4-5,8-11,14,16,28H,1-3,6-7,12-13H2,(H,25,29)(H,26,30)
InChIKeyFOYFKVKRTFTYTJ-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.48
Rot. Bonds6

About 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108540023) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID108540023
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C24H25N3O5/c28-20-9-5-4-8-18(20)22(30)26-13-12-25-21(29)15-10-11-17-19(14-15)24(32)27(23(17)31)16-6-2-1-3-7-16/h4-5,8-11,14,16,28H,1-3,6-7,12-13H2,(H,25,29)(H,26,30)
InChIKeyFOYFKVKRTFTYTJ-UHFFFAOYSA-N
XLogP2.48
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.48
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'}

Analyze 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-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-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108538044
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540506
phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate
CID 108571993
2-cyclohexyl-1,3-dioxo-N-(2-phenoxyethyl)isoindole-5-carboxamide
CID 27758114
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]isoindole-5-carboxamide
CID 108934796
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 108540023) is 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide is O=C(NCCNC(=O)c1ccccc1O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is FOYFKVKRTFTYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c28-20-9-5-4-8-18(20)22(30)26-13-12-25-21(29)15-10-11-17-19(14-15)24(32)27(23(17)31)16-6-2-1-3-7-16/h4-5,8-11,14,16,28H,1-3,6-7,12-13H2,(H,25,29)(H,26,30).
What are the key properties of 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108540023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).