2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide

C20H25N3O4 — CID 135585180

IUPAC2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide
SMILESCCCCn1c(O)c2ccc(C(=O)/N=N/C(=O)C3CCCCC3)cc2c1O
InChIInChI=1S/C20H25N3O4/c1-2-3-11-23-19(26)15-10-9-14(12-16(15)20(23)27)18(25)22-21-17(24)13-7-5-4-6-8-13/h9-10,12-13,26-27H,2-8,11H2,1H3/b22-21+
InChIKeyAYINOSNBCBFVDC-QURGRASLSA-N
MW371.44 g/mol
LogP4.55
Rot. Bonds5

About 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide

2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide (PubChem CID 135585180) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide
PubChem CID135585180
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide
SMILESCCCCn1c(O)c2ccc(C(=O)/N=N/C(=O)C3CCCCC3)cc2c1O
InChIInChI=1S/C20H25N3O4/c1-2-3-11-23-19(26)15-10-9-14(12-16(15)20(23)27)18(25)22-21-17(24)13-7-5-4-6-8-13/h9-10,12-13,26-27H,2-8,11H2,1H3/b22-21+
InChIKeyAYINOSNBCBFVDC-QURGRASLSA-N
XLogP4.55
TPSA104.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-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-ethyl-1,3-dioxo-N'-(3-pyridinylcarbonyl)-5-isoindolinecarbohydrazide
CID 973451
1,3-dioxo-2-propyl-N'-(3-pyridinylcarbonyl)-5-isoindolinecarbohydrazide
CID 1293875
3-(2-benzyl-1,3-dioxoisoindolin-5-yl)-N-hydroxyacrylamide
CID 135424818
N-[2-(2-fluorophenoxy)acetyl]imino-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135894110
(E)-3-[1,3-dihydroxy-2-(2-phenylethyl)isoindol-5-yl]-N-oxoprop-2-enamide
CID 135906531
(E)-3-[1,3-dihydroxy-2-[(4-methylphenyl)methyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 135906532
(E)-3-[1,3-dihydroxy-2-[[4-(hydroxymethyl)phenyl]methyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 136184410
(E)-3-[1,3-dihydroxy-2-[(1S)-1-phenylethyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 136184411
(E)-3-[1,3-dihydroxy-2-[(1R)-1-phenylethyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 136184412
N-(4-fluorobenzoyl)imino-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135761227
2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide
CID 135906528
1,3-dihydroxy-N-[2-(4-methoxyphenoxy)acetyl]imino-2-prop-2-enylisoindole-5-carboxamide
CID 135735427

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide (CID 135585180) is 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide is CCCCn1c(O)c2ccc(C(=O)/N=N/C(=O)C3CCCCC3)cc2c1O.
What is the InChIKey of 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide?
The InChIKey is AYINOSNBCBFVDC-QURGRASLSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-2-3-11-23-19(26)15-10-9-14(12-16(15)20(23)27)18(25)22-21-17(24)13-7-5-4-6-8-13/h9-10,12-13,26-27H,2-8,11H2,1H3/b22-21+.
What are the key properties of 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide?
2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(cyclohexanecarbonylimino)-1,3-dihydroxyisoindole-5-carboxamide is sourced from PubChem (CID 135585180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).