6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide

C18H26N2O2 — CID 170562577

IUPAC6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC(/C(N)=N/O)=C2
InChIInChI=1S/C18H26N2O2/c1-17(2,3)13-8-11-7-12(16(19)20-21)10-22-15(11)14(9-13)18(4,5)6/h7-9,21H,10H2,1-6H3,(H2,19,20)
InChIKeyFURRQFKFYNBANW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.80
Rot. Bonds1

About 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide

6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide (PubChem CID 170562577) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide.

Molecular Properties

Compound Name6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide
PubChem CID170562577
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC(/C(N)=N/O)=C2
InChIInChI=1S/C18H26N2O2/c1-17(2,3)13-8-11-7-12(16(19)20-21)10-22-15(11)14(9-13)18(4,5)6/h7-9,21H,10H2,1-6H3,(H2,19,20)
InChIKeyFURRQFKFYNBANW-UHFFFAOYSA-N
XLogP3.80
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide 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

4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 82494160
3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
CID 135699520
6,8-ditert-butyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 10108917
(4S)-6,8-ditert-butyl-3,4-dihydro-2H-chromen-4-ol
CID 79014331
7-tert-butyl-6-chloro-2H-chromene-3-carboxylic acid
CID 167060458
methyl 6,8-ditert-butyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 142970795
6,8-ditert-butyl-3-methyl-2,4-dihydro-1,3-benzoxazine
CID 15937139
(3E)-5,7-ditert-butyl-3-propylidene-2H-1,3-benzoxazol-3-ium
CID 20783552
14,16,22,24-tetratert-butyl-19-ethyl-18,20-dioxa-3,10-diaza-19-aluminatetracyclo[19.4.0.04,9.012,17]pentacosa-1(21),2,4,6,8,10,12(17),13,15,22,24-undecaene
CID 20767332
CID 174137288
CID 174137288
N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide
CID 82492461
6,8-ditert-butylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclobutane]
CID 101459612

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide?
The IUPAC name of 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide (CID 170562577) is 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide.
What is the SMILES notation for 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide?
The canonical SMILES for 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC(/C(N)=N/O)=C2.
What is the InChIKey of 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide?
The InChIKey is FURRQFKFYNBANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)13-8-11-7-12(16(19)20-21)10-22-15(11)14(9-13)18(4,5)6/h7-9,21H,10H2,1-6H3,(H2,19,20).
What are the key properties of 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide?
6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide has a molecular weight of 302.42 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-N'-hydroxy-2H-chromene-3-carboximidamide is sourced from PubChem (CID 170562577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).