2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide

C19H24N2O4 — CID 78767376

IUPAC2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NC3CCC(O)CC3)cc2C1=O
InChIInChI=1S/C19H24N2O4/c1-2-3-10-21-18(24)15-9-4-12(11-16(15)19(21)25)17(23)20-13-5-7-14(22)8-6-13/h4,9,11,13-14,22H,2-3,5-8,10H2,1H3,(H,20,23)
InChIKeyPDUJBBTXNNASIT-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.12
Rot. Bonds5

About 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 78767376) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID78767376
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NC3CCC(O)CC3)cc2C1=O
InChIInChI=1S/C19H24N2O4/c1-2-3-10-21-18(24)15-9-4-12(11-16(15)19(21)25)17(23)20-13-5-7-14(22)8-6-13/h4,9,11,13-14,22H,2-3,5-8,10H2,1H3,(H,20,23)
InChIKeyPDUJBBTXNNASIT-UHFFFAOYSA-N
XLogP2.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butyl-N-(4-hydroxycyclohexyl)-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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119458632
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
CID 108551812
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
CID 119563122
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 2635228
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide (CID 78767376) is 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)NC3CCC(O)CC3)cc2C1=O.
What is the InChIKey of 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PDUJBBTXNNASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-3-10-21-18(24)15-9-4-12(11-16(15)19(21)25)17(23)20-13-5-7-14(22)8-6-13/h4,9,11,13-14,22H,2-3,5-8,10H2,1H3,(H,20,23).
What are the key properties of 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 78767376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).