N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

C16H17N3O5 — CID 135776333

IUPACN-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESCC(=O)/N=N/C(=O)c1ccc2c(O)n(CC3CCCO3)c(O)c2c1
InChIInChI=1S/C16H17N3O5/c1-9(20)17-18-14(21)10-4-5-12-13(7-10)16(23)19(15(12)22)8-11-3-2-6-24-11/h4-5,7,11,22-23H,2-3,6,8H2,1H3/b18-17+
InChIKeyHSFBNFJZEUASLZ-ISLYRVAYSA-N
MW331.33 g/mol
LogP2.37
Rot. Bonds3

About N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 135776333) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
PubChem CID135776333
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESCC(=O)/N=N/C(=O)c1ccc2c(O)n(CC3CCCO3)c(O)c2c1
InChIInChI=1S/C16H17N3O5/c1-9(20)17-18-14(21)10-4-5-12-13(7-10)16(23)19(15(12)22)8-11-3-2-6-24-11/h4-5,7,11,22-23H,2-3,6,8H2,1H3/b18-17+
InChIKeyHSFBNFJZEUASLZ-ISLYRVAYSA-N
XLogP2.37
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-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-[2-(2-fluorophenoxy)acetyl]imino-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135894110
[(2S)-2-[1,3-dihydroxy-5-[(E)-3-nitroso-3-oxoprop-1-enyl]isoindol-2-yl]-2-phenylethyl] benzoate
CID 136184413
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
N'-benzoyl-2-ethyl-1,3-dioxoisoindole-5-carbohydrazide
CID 973227
N'-benzoyl-2-tert-butyl-1,3-dioxoisoindole-5-carbohydrazide
CID 2227718
1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 135906529
[(2R)-2-[1,3-dihydroxy-5-[(E)-3-nitroso-3-oxoprop-1-enyl]isoindol-2-yl]-2-phenylethyl] benzoate
CID 136184414
1,3-dioxo-N'-(pyridin-3-ylcarbonyl)-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-carbohydrazide
CID 4350901
N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135781180
N-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-(2-methoxyethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 135655438

Frequently Asked Questions

What is the IUPAC name of N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (CID 135776333) is N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is CC(=O)/N=N/C(=O)c1ccc2c(O)n(CC3CCCO3)c(O)c2c1.
What is the InChIKey of N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is HSFBNFJZEUASLZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-9(20)17-18-14(21)10-4-5-12-13(7-10)16(23)19(15(12)22)8-11-3-2-6-24-11/h4-5,7,11,22-23H,2-3,6,8H2,1H3/b18-17+.
What are the key properties of N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylimino-1,3-dihydroxy-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 135776333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).